2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid

C14H14N2O4 — CID 66173370

IUPAC2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C14H14N2O4/c1-14(20,13(18)19)8-15-12(17)11-7-6-9-4-2-3-5-10(9)16-11/h2-7,20H,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyLXPDXXTZTIODHZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.80
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid (PubChem CID 66173370) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
PubChem CID66173370
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C14H14N2O4/c1-14(20,13(18)19)8-15-12(17)11-7-6-9-4-2-3-5-10(9)16-11/h2-7,20H,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyLXPDXXTZTIODHZ-UHFFFAOYSA-N
XLogP0.80
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
CID 66174400

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid (CID 66173370) is 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid is CC(O)(CNC(=O)c1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid?
The InChIKey is LXPDXXTZTIODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-14(20,13(18)19)8-15-12(17)11-7-6-9-4-2-3-5-10(9)16-11/h2-7,20H,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid is sourced from PubChem (CID 66173370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).