Amino-(1-methyl-1H-indol-3-YL)-acetic acid
PubChem CID
3450525
Structure
Molecular Formula
Synonyms
- AMINO-(1-METHYL-1H-INDOL-3-YL)-ACETIC ACID
- 1000058-38-7
- 2-amino-2-(1-methylindol-3-yl)acetic Acid
- DTXSID50392588
- 2-amino-2-(1-methyl-1H-indol-3-yl)acetic acid
Molecular Weight
204.22 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-09-08
- Modify:2025-01-04
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-nTrp(Me)-OH
Sequence
X
HELM
PEPTIDE1{[Cn1cc(c2c1cccc2)C(C(=O)O)N]}$$$$
IUPAC
N1-methyl-DL-nortryptophan
2-amino-2-(1-methylindol-3-yl)acetic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C11H12N2O2/c1-13-6-8(10(12)11(14)15)7-4-2-3-5-9(7)13/h2-6,10H,12H2,1H3,(H,14,15)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
BQGLTWZZGBBPGT-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN1C=C(C2=CC=CC=C21)C(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H12N2O2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1000058-38-7
- AMINO-(1-METHYL-1H-INDOL-3-YL)-ACETIC ACID
- 1000058-38-7
- 2-amino-2-(1-methylindol-3-yl)acetic Acid
- DTXSID50392588
- 2-amino-2-(1-methyl-1H-indol-3-yl)acetic acid
- (2S)-2-amino-2-(1-methyl-1H-indol-3-yl)acetic acid
- DTXCID00343449
- AKOS022771926
- AMINO(1-METHYLINDOL-3-YL)ACETIC ACID
- 1H-Indole-3-acetic acid, alpha-amino-1-methyl-
- EN300-1846772
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
204.089877630 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
204.089877630 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
68.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
257
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
1
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 2011.04.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxAMINO-(1-METHYL-1H-INDOL-3-YL)-ACETIC ACIDhttps://comptox.epa.gov/dashboard/DTXSID50392588
- Japan Chemical Substance Dictionary (Nikkaji)
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataAMINO-(1-METHYL-1H-INDOL-3-YL)-ACETIC ACIDhttps://www.wikidata.org/wiki/Q82190940
- PubChem
CONTENTS