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

C13H14ClNO3 — CID 106320533

IUPACcis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-3-1-2-8(6-10)12(16)15-11-5-4-9(7-11)13(17)18/h1-3,6,9,11H,4-5,7H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
InChIKeyFIZRVZODZGOXGC-KOLCDFICSA-N
MW267.71 g/mol
LogP2.32
Rot. Bonds3

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

cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320533) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320533
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namecis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c14-10-3-1-2-8(6-10)12(16)15-11-5-4-9(7-11)13(17)18/h1-3,6,9,11H,4-5,7H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
InChIKeyFIZRVZODZGOXGC-KOLCDFICSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)amino]cyclohexane-1-carboxylate
CID 156759054
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106320533) is cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FIZRVZODZGOXGC-KOLCDFICSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-3-1-2-8(6-10)12(16)15-11-5-4-9(7-11)13(17)18/h1-3,6,9,11H,4-5,7H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).