2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid

C16H18N2O3 — CID 62818606

IUPAC2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1cccc2cccnc12)C(C)(C)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-4-18(16(2,3)15(20)21)14(19)12-9-5-7-11-8-6-10-17-13(11)12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyHZVXPHTYDCNNPN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds4

About 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62818606) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62818606
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1cccc2cccnc12)C(C)(C)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-4-18(16(2,3)15(20)21)14(19)12-9-5-7-11-8-6-10-17-13(11)12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyHZVXPHTYDCNNPN-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic 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-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
2-[(2,3-difluoropyridine-4-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 114036658
2-[ethyl-(6-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62823687
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62818222
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
CID 107433551

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid (CID 62818606) is 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1cccc2cccnc12)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HZVXPHTYDCNNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-18(16(2,3)15(20)21)14(19)12-9-5-7-11-8-6-10-17-13(11)12/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).