cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid

C18H22N2O4 — CID 120678518

IUPACcis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(11-14)18(23)24)9-10-20-15-4-2-1-3-12(15)6-8-17(20)22/h1-4,13-14H,5-11H2,(H,19,21)(H,23,24)/t13-,14+/m1/s1
InChIKeyDMJDXCLLVHLJGQ-KGLIPLIRSA-N
MW330.38 g/mol
LogP1.73
Rot. Bonds5

About cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678518) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678518
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namecis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(11-14)18(23)24)9-10-20-15-4-2-1-3-12(15)6-8-17(20)22/h1-4,13-14H,5-11H2,(H,19,21)(H,23,24)/t13-,14+/m1/s1
InChIKeyDMJDXCLLVHLJGQ-KGLIPLIRSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677529
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166747
N-(2-methylpiperidin-3-yl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120575805
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356737
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
4-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 125149910
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120944772
N-(2-amino-1-cyclopropylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119613182
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678518) is cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DMJDXCLLVHLJGQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(11-14)18(23)24)9-10-20-15-4-2-1-3-12(15)6-8-17(20)22/h1-4,13-14H,5-11H2,(H,19,21)(H,23,24)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).