2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid

C15H14N2O3 — CID 62696329

IUPAC2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc2ncccc12
InChIInChI=1S/C15H14N2O3/c18-14(17-13(15(19)20)9-6-7-9)11-3-1-5-12-10(11)4-2-8-16-12/h1-5,8-9,13H,6-7H2,(H,17,18)(H,19,20)
InChIKeyWQWGXDBSKLIHGL-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid

2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid (PubChem CID 62696329) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
PubChem CID62696329
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc2ncccc12
InChIInChI=1S/C15H14N2O3/c18-14(17-13(15(19)20)9-6-7-9)11-3-1-5-12-10(11)4-2-8-16-12/h1-5,8-9,13H,6-7H2,(H,17,18)(H,19,20)
InChIKeyWQWGXDBSKLIHGL-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(2-amino-1-cyclopentylethyl)quinoline-5-carboxamide
CID 106737604
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid (CID 62696329) is 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc2ncccc12.
What is the InChIKey of 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid?
The InChIKey is WQWGXDBSKLIHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(17-13(15(19)20)9-6-7-9)11-3-1-5-12-10(11)4-2-8-16-12/h1-5,8-9,13H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid?
2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid is sourced from PubChem (CID 62696329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).