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

C16H20N2O3 — CID 82763842

IUPAC2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H20N2O3/c1-16(15(20)21)8-4-7-13(16)18-14(19)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12-13,17H,4,7-9H2,1H3,(H,18,19)(H,20,21)/t12-,13?,16?/m0/s1
InChIKeyLWRWCSBNOCQDMH-FUJMWEONSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds3

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

2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763842) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763842
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H20N2O3/c1-16(15(20)21)8-4-7-13(16)18-14(19)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12-13,17H,4,7-9H2,1H3,(H,18,19)(H,20,21)/t12-,13?,16?/m0/s1
InChIKeyLWRWCSBNOCQDMH-FUJMWEONSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763842) is 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is LWRWCSBNOCQDMH-FUJMWEONSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(15(20)21)8-4-7-13(16)18-14(19)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,12-13,17H,4,7-9H2,1H3,(H,18,19)(H,20,21)/t12-,13?,16?/m0/s1.
What are the key properties of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).