2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid

C16H18N2O3 — CID 120518528

IUPAC2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1cccc2ccc(C)nc12)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-4-16(3,15(20)21)18-14(19)12-7-5-6-11-9-8-10(2)17-13(11)12/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHUJMHXRXSDGDIN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid

2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid (PubChem CID 120518528) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
PubChem CID120518528
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1cccc2ccc(C)nc12)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-4-16(3,15(20)21)18-14(19)12-7-5-6-11-9-8-10(2)17-13(11)12/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHUJMHXRXSDGDIN-UHFFFAOYSA-N
XLogP2.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120532298
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
CID 119429883
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid (CID 120518528) is 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1cccc2ccc(C)nc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The InChIKey is HUJMHXRXSDGDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-16(3,15(20)21)18-14(19)12-7-5-6-11-9-8-10(2)17-13(11)12/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120518528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).