cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

C19H24FNO3 — CID 120677886

IUPACcis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1
InChIInChI=1S/C19H24FNO3/c20-15-6-4-5-14(12-15)19(9-2-1-3-10-19)18(24)21-16-8-7-13(11-16)17(22)23/h4-6,12-13,16H,1-3,7-11H2,(H,21,24)(H,22,23)/t13-,16+/m1/s1
InChIKeyOVMXLWYGBXXSEJ-CJNGLKHVSA-N
MW333.40 g/mol
LogP3.40
Rot. Bonds4

About cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677886) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120677886
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Namecis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1
InChIInChI=1S/C19H24FNO3/c20-15-6-4-5-14(12-15)19(9-2-1-3-10-19)18(24)21-16-8-7-13(11-16)17(22)23/h4-6,12-13,16H,1-3,7-11H2,(H,21,24)(H,22,23)/t13-,16+/m1/s1
InChIKeyOVMXLWYGBXXSEJ-CJNGLKHVSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
cis-(1S,3R)-3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108651
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
cis-(1R,3S)-3-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678235

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120677886) is cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1.
What is the InChIKey of cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OVMXLWYGBXXSEJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-15-6-4-5-14(12-15)19(9-2-1-3-10-19)18(24)21-16-8-7-13(11-16)17(22)23/h4-6,12-13,16H,1-3,7-11H2,(H,21,24)(H,22,23)/t13-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 333.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).