2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid

C12H12N2O4 — CID 110835945

IUPAC2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
SMILESCc1[nH]c2c(O)cccc2c1C(=O)NCC(=O)O
InChIInChI=1S/C12H12N2O4/c1-6-10(12(18)13-5-9(16)17)7-3-2-4-8(15)11(7)14-6/h2-4,14-15H,5H2,1H3,(H,13,18)(H,16,17)
InChIKeyGJIYPPIXXHXXIT-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.00
Rot. Bonds3

About 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid

2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid (PubChem CID 110835945) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
PubChem CID110835945
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
SMILESCc1[nH]c2c(O)cccc2c1C(=O)NCC(=O)O
InChIInChI=1S/C12H12N2O4/c1-6-10(12(18)13-5-9(16)17)7-3-2-4-8(15)11(7)14-6/h2-4,14-15H,5H2,1H3,(H,13,18)(H,16,17)
InChIKeyGJIYPPIXXHXXIT-UHFFFAOYSA-N
XLogP1.00
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84696464
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
7-chloro-N-(furan-2-ylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 110850474
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
7-fluoro-2-methyl-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 110851915
3-ethyl-2-methyl-1H-indol-7-ol
CID 130049392
2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
CID 26437134

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid (CID 110835945) is 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid is Cc1[nH]c2c(O)cccc2c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid?
The InChIKey is GJIYPPIXXHXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-6-10(12(18)13-5-9(16)17)7-3-2-4-8(15)11(7)14-6/h2-4,14-15H,5H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid?
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 110835945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).