2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid

C18H22N2O4 — CID 119203368

IUPAC2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCC1Cc2ccccc2NC1=O)C1CC1
InChIInChI=1S/C18H22N2O4/c1-11(18(23)24)20(14-7-8-14)16(21)9-6-13-10-12-4-2-3-5-15(12)19-17(13)22/h2-5,11,13-14H,6-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyVTJQJEPKKJQUEM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.04
Rot. Bonds6

About 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid

2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid (PubChem CID 119203368) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
PubChem CID119203368
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCC1Cc2ccccc2NC1=O)C1CC1
InChIInChI=1S/C18H22N2O4/c1-11(18(23)24)20(14-7-8-14)16(21)9-6-13-10-12-4-2-3-5-15(12)19-17(13)22/h2-5,11,13-14H,6-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyVTJQJEPKKJQUEM-UHFFFAOYSA-N
XLogP2.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 43042321
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119653931
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoic acid
CID 119194338
N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142208
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134053937
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
CID 119367609
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135949301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid (CID 119203368) is 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCC1Cc2ccccc2NC1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid?
The InChIKey is VTJQJEPKKJQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(18(23)24)20(14-7-8-14)16(21)9-6-13-10-12-4-2-3-5-15(12)19-17(13)22/h2-5,11,13-14H,6-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119203368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).