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

C14H16N2O3 — CID 81161703

IUPAC1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O3/c17-12(16-14(13(18)19)6-3-7-14)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,11,15H,3,6-8H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyIDVPJOWOHNFLIQ-NSHDSACASA-N
MW260.29 g/mol
LogP1.15
Rot. Bonds3

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

1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81161703) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81161703
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O3/c17-12(16-14(13(18)19)6-3-7-14)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,11,15H,3,6-8H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyIDVPJOWOHNFLIQ-NSHDSACASA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 62551515
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763842
2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81164791
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cycloheptane-1-carboxylic acid
CID 66396084
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107852883
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107221687

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 81161703) is 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is IDVPJOWOHNFLIQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12(16-14(13(18)19)6-3-7-14)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,11,15H,3,6-8H2,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81161703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).