(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid

C15H16N2O3 — CID 93298046

IUPAC(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
SMILESC[C@@](NC(=O)c1cc2ccccc2[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O3/c1-15(14(19)20,10-6-7-10)17-13(18)12-8-9-4-2-3-5-11(9)16-12/h2-5,8,10,16H,6-7H2,1H3,(H,17,18)(H,19,20)/t15-/m0/s1
InChIKeyBQPZCTGVCJHTIP-HNNXBMFYSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid

(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid (PubChem CID 93298046) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
PubChem CID93298046
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
SMILESC[C@@](NC(=O)c1cc2ccccc2[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O3/c1-15(14(19)20,10-6-7-10)17-13(18)12-8-9-4-2-3-5-11(9)16-12/h2-5,8,10,16H,6-7H2,1H3,(H,17,18)(H,19,20)/t15-/m0/s1
InChIKeyBQPZCTGVCJHTIP-HNNXBMFYSA-N
XLogP2.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466136
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid (CID 93298046) is (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid is C[C@@](NC(=O)c1cc2ccccc2[nH]1)(C(=O)O)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid?
The InChIKey is BQPZCTGVCJHTIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(14(19)20,10-6-7-10)17-13(18)12-8-9-4-2-3-5-11(9)16-12/h2-5,8,10,16H,6-7H2,1H3,(H,17,18)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid?
(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid is sourced from PubChem (CID 93298046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).