(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid

C14H16N2O4 — CID 124684330

IUPAC(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-10(14(19)20)16-13(18)9-7-12(17)15-11-6-4-3-5-8(9)11/h3-6,9-10H,2,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10-/m0/s1
InChIKeyVCZTTYMEDMJRPW-UWVGGRQHSA-N
MW276.29 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid

(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid (PubChem CID 124684330) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
PubChem CID124684330
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-10(14(19)20)16-13(18)9-7-12(17)15-11-6-4-3-5-8(9)11/h3-6,9-10H,2,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10-/m0/s1
InChIKeyVCZTTYMEDMJRPW-UWVGGRQHSA-N
XLogP1.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid (CID 124684330) is (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid?
The InChIKey is VCZTTYMEDMJRPW-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-10(14(19)20)16-13(18)9-7-12(17)15-11-6-4-3-5-8(9)11/h3-6,9-10H,2,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid?
(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 124684330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).