3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid

C20H24N2O3 — CID 119113350

IUPAC3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H24N2O3/c1-13(2)12-22(10-9-19(23)24)20(25)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24)
InChIKeyLNRJWMWPLRJECF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds7

About 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid

3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 119113350) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID119113350
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H24N2O3/c1-13(2)12-22(10-9-19(23)24)20(25)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24)
InChIKeyLNRJWMWPLRJECF-UHFFFAOYSA-N
XLogP3.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
6-cyclopropyl-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55760606
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
CID 4119732
N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 119113350) is 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is LNRJWMWPLRJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)12-22(10-9-19(23)24)20(25)16-11-18(14-7-8-14)21-17-6-4-3-5-15(16)17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24).
What are the key properties of 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119113350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).