2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid

C17H20N2O4 — CID 122126262

IUPAC2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2,16(22)23)10-18-14(20)12-9-11-7-5-6-8-13(11)19-15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeySNIBMXOMBSHGTI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.15
Rot. Bonds6

About 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 122126262) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
PubChem CID122126262
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2,16(22)23)10-18-14(20)12-9-11-7-5-6-8-13(11)19-15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeySNIBMXOMBSHGTI-UHFFFAOYSA-N
XLogP2.15
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid (CID 122126262) is 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1cc2ccccc2[nH]c1=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is SNIBMXOMBSHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-17(4-2,16(22)23)10-18-14(20)12-9-11-7-5-6-8-13(11)19-15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 122126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).