2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid

C18H16N2O3 — CID 72889894

IUPAC2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
SMILESCn1ccc2ccc(C(=O)NC(C(=O)O)c3ccccc3)cc21
InChIInChI=1S/C18H16N2O3/c1-20-10-9-12-7-8-14(11-15(12)20)17(21)19-16(18(22)23)13-5-3-2-4-6-13/h2-11,16H,1H3,(H,19,21)(H,22,23)
InChIKeyCCDJYZFIODXEQQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid

2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid (PubChem CID 72889894) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
PubChem CID72889894
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
SMILESCn1ccc2ccc(C(=O)NC(C(=O)O)c3ccccc3)cc21
InChIInChI=1S/C18H16N2O3/c1-20-10-9-12-7-8-14(11-15(12)20)17(21)19-16(18(22)23)13-5-3-2-4-6-13/h2-11,16H,1H3,(H,19,21)(H,22,23)
InChIKeyCCDJYZFIODXEQQ-UHFFFAOYSA-N
XLogP2.73
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
2-[(1-methylindole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 118985862
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
1-methylindole-6-carboxamide
CID 22245947
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid (CID 72889894) is 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid is Cn1ccc2ccc(C(=O)NC(C(=O)O)c3ccccc3)cc21.
What is the InChIKey of 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is CCDJYZFIODXEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-10-9-12-7-8-14(11-15(12)20)17(21)19-16(18(22)23)13-5-3-2-4-6-13/h2-11,16H,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid?
2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 308.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 72889894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).