2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid

C15H14N2O4 — CID 62695160

IUPAC2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H14N2O4/c18-12-7-11(16-10-4-2-1-3-9(10)12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyDJLYTJGZKLMLLE-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.12
Rot. Bonds4

About 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid (PubChem CID 62695160) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
PubChem CID62695160
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H14N2O4/c18-12-7-11(16-10-4-2-1-3-9(10)12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyDJLYTJGZKLMLLE-UHFFFAOYSA-N
XLogP1.12
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
CID 120547561
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid (CID 62695160) is 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid?
The InChIKey is DJLYTJGZKLMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-7-11(16-10-4-2-1-3-9(10)12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 62695160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).