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

C18H22N2O4 — CID 120675455

IUPACcis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCC1Cc2ccccc2NC1=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(10-14)18(23)24)8-6-12-9-11-3-1-2-4-15(11)20-17(12)22/h1-4,12-14H,5-10H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13-,14+/m0/s1
InChIKeyUVNMGDSVBKXDMC-KFTPUPIBSA-N
MW330.38 g/mol
LogP1.95
Rot. Bonds5

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

cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120675455) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120675455
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namecis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCC1Cc2ccccc2NC1=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(10-14)18(23)24)8-6-12-9-11-3-1-2-4-15(11)20-17(12)22/h1-4,12-14H,5-10H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13-,14+/m0/s1
InChIKeyUVNMGDSVBKXDMC-KFTPUPIBSA-N
XLogP1.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
CID 43043190
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111464117
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
CID 119367609
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18143095
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120675455) is cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCC1Cc2ccccc2NC1=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UVNMGDSVBKXDMC-KFTPUPIBSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(19-14-7-5-13(10-14)18(23)24)8-6-12-9-11-3-1-2-4-15(11)20-17(12)22/h1-4,12-14H,5-10H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).