2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid

C15H20N2O3 — CID 76894150

IUPAC2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-3-8-15(2,14(19)20)17-13(18)12-9-10-6-4-5-7-11(10)16-12/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKFJKTEPOWMMFSO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.78
Rot. Bonds5

About 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid

2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid (PubChem CID 76894150) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid
PubChem CID76894150
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-3-8-15(2,14(19)20)17-13(18)12-9-10-6-4-5-7-11(10)16-12/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKFJKTEPOWMMFSO-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106188200
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107852883
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid (CID 76894150) is 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)C1Cc2ccccc2N1)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid?
The InChIKey is KFJKTEPOWMMFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-15(2,14(19)20)17-13(18)12-9-10-6-4-5-7-11(10)16-12/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid?
2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid is sourced from PubChem (CID 76894150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).