2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid

C16H17N3O3 — CID 122058339

IUPAC2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
SMILESCC(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C16H17N3O3/c1-9(16(21)22)17-14-8-12(15(20)18-10-6-7-10)11-4-2-3-5-13(11)19-14/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHIKSGCNZEDAJDC-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.01
Rot. Bonds5

About 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid

2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid (PubChem CID 122058339) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
PubChem CID122058339
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
SMILESCC(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)O
InChIInChI=1S/C16H17N3O3/c1-9(16(21)22)17-14-8-12(15(20)18-10-6-7-10)11-4-2-3-5-13(11)19-14/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHIKSGCNZEDAJDC-UHFFFAOYSA-N
XLogP2.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
CID 133388065
N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide
CID 133312066
2-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 133445140
2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
CID 133477494
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid?
The IUPAC name of 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid (CID 122058339) is 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid is CC(Nc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid?
The InChIKey is HIKSGCNZEDAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9(16(21)22)17-14-8-12(15(20)18-10-6-7-10)11-4-2-3-5-13(11)19-14/h2-5,8-10H,6-7H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid?
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid is sourced from PubChem (CID 122058339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).