3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid

C14H16N2O3 — CID 81370075

IUPAC3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19)8-15-12(17)11-7-9-5-3-4-6-10(9)16-11/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAYJPNYKWCLEGHV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.01
Rot. Bonds4

About 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid

3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid (PubChem CID 81370075) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
PubChem CID81370075
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19)8-15-12(17)11-7-9-5-3-4-6-10(9)16-11/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAYJPNYKWCLEGHV-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1H-indole-2-carboxamide
CID 95773944
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
N-[2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 166394366
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
CID 93298046
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid (CID 81370075) is 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid?
The InChIKey is AYJPNYKWCLEGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,13(18)19)8-15-12(17)11-7-9-5-3-4-6-10(9)16-11/h3-7,16H,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid?
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81370075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).