3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid

C13H16N2O4 — CID 115122854

IUPAC3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
SMILESO=C(O)CC(O)CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c16-10(6-13(18)19)7-14-9-2-3-11-8(5-9)1-4-12(17)15-11/h2-3,5,10,14,16H,1,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyXYWAREFQJYCLFZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.82
Rot. Bonds5

About 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid

3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid (PubChem CID 115122854) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
PubChem CID115122854
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
SMILESO=C(O)CC(O)CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O4/c16-10(6-13(18)19)7-14-9-2-3-11-8(5-9)1-4-12(17)15-11/h2-3,5,10,14,16H,1,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyXYWAREFQJYCLFZ-UHFFFAOYSA-N
XLogP0.82
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid with MolForge

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Related Compounds

3-hydroxy-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]butanoic acid
CID 115122875
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid (CID 115122854) is 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid is O=C(O)CC(O)CNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The InChIKey is XYWAREFQJYCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10(6-13(18)19)7-14-9-2-3-11-8(5-9)1-4-12(17)15-11/h2-3,5,10,14,16H,1,4,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid is sourced from PubChem (CID 115122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).