2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

C14H14N2O4 — CID 62625856

IUPAC2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-8(14(19)20)16(2)13(18)11-7-12(17)9-5-3-4-6-10(9)15-11/h3-8H,1-2H3,(H,15,17)(H,19,20)
InChIKeyHZGRTBQEJGSNRB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds3

About 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (PubChem CID 62625856) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
PubChem CID62625856
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-8(14(19)20)16(2)13(18)11-7-12(17)9-5-3-4-6-10(9)15-11/h3-8H,1-2H3,(H,15,17)(H,19,20)
InChIKeyHZGRTBQEJGSNRB-UHFFFAOYSA-N
XLogP1.07
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
2-[methyl-(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835819
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504448
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (CID 62625856) is 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The InChIKey is HZGRTBQEJGSNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(14(19)20)16(2)13(18)11-7-12(17)9-5-3-4-6-10(9)15-11/h3-8H,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62625856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).