(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid

C12H14N2O3 — CID 54991181

IUPAC(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H]1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(12(16)17)13-11(15)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17)/t7-,10+/m1/s1
InChIKeyYNCYCBZYUZGXTQ-XCBNKYQSSA-N
MW234.25 g/mol
LogP0.61
Rot. Bonds3

About (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid

(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid (PubChem CID 54991181) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
PubChem CID54991181
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H]1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(12(16)17)13-11(15)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17)/t7-,10+/m1/s1
InChIKeyYNCYCBZYUZGXTQ-XCBNKYQSSA-N
XLogP0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284722
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid (CID 54991181) is (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid is C[C@@H](NC(=O)[C@@H]1Cc2ccccc2N1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid?
The InChIKey is YNCYCBZYUZGXTQ-XCBNKYQSSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(12(16)17)13-11(15)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,15)(H,16,17)/t7-,10+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid?
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 54991181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).