2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid

C13H16N2O4 — CID 61230248

IUPAC2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O4/c16-8-6-10(12(17)18)14-13(19)15-7-5-9-3-1-2-4-11(9)15/h1-4,10,16H,5-8H2,(H,14,19)(H,17,18)
InChIKeyDNKABZRJYRKFBT-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.59
Rot. Bonds4

About 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid

2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid (PubChem CID 61230248) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
PubChem CID61230248
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O4/c16-8-6-10(12(17)18)14-13(19)15-7-5-9-3-1-2-4-11(9)15/h1-4,10,16H,5-8H2,(H,14,19)(H,17,18)
InChIKeyDNKABZRJYRKFBT-UHFFFAOYSA-N
XLogP0.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107827789
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
CID 166257935
3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
CID 166748735
(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-hydroxybutanoic acid
CID 107825907
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
(2S)-2-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonylamino)-4-hydroxybutanoic acid
CID 107828798
4-amino-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-oxobutanoic acid
CID 61184722
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid (CID 61230248) is 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid is O=C(O)C(CCO)NC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid?
The InChIKey is DNKABZRJYRKFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-8-6-10(12(17)18)14-13(19)15-7-5-9-3-1-2-4-11(9)15/h1-4,10,16H,5-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid?
2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 61230248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).