2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)malonic acid
PubChem CID
17903764
Structure
Molecular Formula
Synonyms
- 296261-32-0
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)malonic acid
- Fmoc-Aminomalonic acid
- 2-((((9H-Fluoren-9-yl)methoxy)-carbonyl)amino)malonic acid
- Propanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
Molecular Weight
341.3 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-12-04
- Modify:2025-01-11
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Fmoc-DL-Gly(CO2H)-OH
Sequence
X
HELM
PEPTIDE1{[fmoc].[*NC(C(=O)O)C(=O)O |$_R1;;;;;;;;$|]}$$$$
IUPAC
N-(fluorenylmethoxycarbonyl)-2-carboxy-DL-glycine
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanedioic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C18H15NO6/c20-16(21)15(17(22)23)19-18(24)25-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2,(H,19,24)(H,20,21)(H,22,23)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
JEHDYXCNIBCDDG-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C(=O)O)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H15NO6
Computed by PubChem 2.2 (PubChem release 2024.11.20)
296261-32-0
- 296261-32-0
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)malonic acid
- Fmoc-Aminomalonic acid
- 2-((((9H-Fluoren-9-yl)methoxy)-carbonyl)amino)malonic acid
- Propanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)propanedioic acid
- 2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)PROPANEDIOIC ACID
- 2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PROPANEDIOIC ACID
- MFCD09841915
- SCHEMBL6746183
- DTXSID40591543
- WLA26132
- AKOS016003007
- AS-71573
- CS-0149811
- Q-102751
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)malonicacid
- ({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)propanedioic acid
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)malonic acid (Fmoc-DL-Gly(CO2H)-OH)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
341.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
341.08993720 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
341.08993720 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
113 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
25
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
500
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JEHDYXCNIBCDDG-UHFFFAOYSA-N
- EPA DSSTox({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)propanedioic acidhttps://comptox.epa.gov/dashboard/DTXSID40591543
- Wikidata({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)propanedioic acidhttps://www.wikidata.org/wiki/Q82485329
- PubChem
- PATENTSCOPE (WIPO)SID 403146116https://pubchem.ncbi.nlm.nih.gov/substance/403146116
CONTENTS