(2S)-2-(1H-indole-4-carbonylamino)propanoic acid

C12H12N2O3 — CID 93286189

IUPAC(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-7(12(16)17)14-11(15)9-3-2-4-10-8(9)5-6-13-10/h2-7,13H,1H3,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyYCPMVCZLMACUEL-ZETCQYMHSA-N
MW232.24 g/mol
LogP1.37
Rot. Bonds3

About (2S)-2-(1H-indole-4-carbonylamino)propanoic acid

(2S)-2-(1H-indole-4-carbonylamino)propanoic acid (PubChem CID 93286189) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-(1H-indole-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
PubChem CID93286189
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-7(12(16)17)14-11(15)9-3-2-4-10-8(9)5-6-13-10/h2-7,13H,1H3,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyYCPMVCZLMACUEL-ZETCQYMHSA-N
XLogP1.37
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
1H-indole-4-carbohydrazide
CID 43316644
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indole-4-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-indole-4-carbonylamino)propanoic acid (CID 93286189) is (2S)-2-(1H-indole-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-indole-4-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-indole-4-carbonylamino)propanoic acid is C[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)O.
What is the InChIKey of (2S)-2-(1H-indole-4-carbonylamino)propanoic acid?
The InChIKey is YCPMVCZLMACUEL-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7(12(16)17)14-11(15)9-3-2-4-10-8(9)5-6-13-10/h2-7,13H,1H3,(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(1H-indole-4-carbonylamino)propanoic acid?
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indole-4-carbonylamino)propanoic acid is sourced from PubChem (CID 93286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).