3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid

C16H18N2O3 — CID 64672068

IUPAC3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(21)18-16(2,3)9-14(19)20/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyAJENAQZKCDLMJM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds4

About 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid

3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid (PubChem CID 64672068) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
PubChem CID64672068
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CC(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(21)18-16(2,3)9-14(19)20/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyAJENAQZKCDLMJM-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

N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-[3-(bromomethyl)pentan-3-yl]-2-methylquinoline-4-carboxamide
CID 114315257
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64671902
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid (CID 64672068) is 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NC(C)(C)CC(=O)O)c2ccccc2n1.
What is the InChIKey of 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The InChIKey is AJENAQZKCDLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(21)18-16(2,3)9-14(19)20/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
3-methyl-3-[(2-methylquinoline-4-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 3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64672068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).