2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid

C13H14N2O4 — CID 110835915

IUPAC2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-7-12(13(19)15(2)6-11(17)18)9-5-8(16)3-4-10(9)14-7/h3-5,14,16H,6H2,1-2H3,(H,17,18)
InChIKeyYHWPGRICCQEIJR-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.34
Rot. Bonds3

About 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid

2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid (PubChem CID 110835915) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
PubChem CID110835915
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-7-12(13(19)15(2)6-11(17)18)9-5-8(16)3-4-10(9)14-7/h3-5,14,16H,6H2,1-2H3,(H,17,18)
InChIKeyYHWPGRICCQEIJR-UHFFFAOYSA-N
XLogP1.34
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933
2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835901
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164
tert-butyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54440936
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 110833669
5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335394
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid (CID 110835915) is 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid is Cc1[nH]c2ccc(O)cc2c1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is YHWPGRICCQEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-12(13(19)15(2)6-11(17)18)9-5-8(16)3-4-10(9)14-7/h3-5,14,16H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).