3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid

C17H18N2O3 — CID 120535420

IUPAC3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc2ccccc2n1)C1CC1)C(=O)O
InChIInChI=1S/C17H18N2O3/c1-11(17(21)22)10-19(13-7-8-13)16(20)15-9-6-12-4-2-3-5-14(12)18-15/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,22)
InChIKeyWRWIZYLQKKDDRM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.56
Rot. Bonds5

About 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid

3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 120535420) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID120535420
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)c1ccc2ccccc2n1)C1CC1)C(=O)O
InChIInChI=1S/C17H18N2O3/c1-11(17(21)22)10-19(13-7-8-13)16(20)15-9-6-12-4-2-3-5-14(12)18-15/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,22)
InChIKeyWRWIZYLQKKDDRM-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
CID 102872000
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
CID 63376080
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
CID 71885341
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid (CID 120535420) is 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid is CC(CN(C(=O)c1ccc2ccccc2n1)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is WRWIZYLQKKDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(17(21)22)10-19(13-7-8-13)16(20)15-9-6-12-4-2-3-5-14(12)18-15/h2-6,9,11,13H,7-8,10H2,1H3,(H,21,22).
What are the key properties of 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120535420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).