cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H15FN2O4 — CID 120675306

IUPACcis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15FN2O4/c17-9-2-4-11-12(7-14(20)19-13(11)6-9)15(21)18-10-3-1-8(5-10)16(22)23/h2,4,6-8,10H,1,3,5H2,(H,18,21)(H,19,20)(H,22,23)/t8-,10+/m0/s1
InChIKeyZKCLYPLKOINJGV-WCBMZHEXSA-N
MW318.30 g/mol
LogP1.65
Rot. Bonds3

About cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675306) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675306
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Namecis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15FN2O4/c17-9-2-4-11-12(7-14(20)19-13(11)6-9)15(21)18-10-3-1-8(5-10)16(22)23/h2,4,6-8,10H,1,3,5H2,(H,18,21)(H,19,20)(H,22,23)/t8-,10+/m0/s1
InChIKeyZKCLYPLKOINJGV-WCBMZHEXSA-N
XLogP1.65
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 111696910
7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 136514268
N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 155496257
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675306) is cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZKCLYPLKOINJGV-WCBMZHEXSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-9-2-4-11-12(7-14(20)19-13(11)6-9)15(21)18-10-3-1-8(5-10)16(22)23/h2,4,6-8,10H,1,3,5H2,(H,18,21)(H,19,20)(H,22,23)/t8-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).