cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

C15H18ClNO3 — CID 120675394

IUPACcis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-9(10-3-2-4-12(16)7-10)14(18)17-13-6-5-11(8-13)15(19)20/h2-4,7,9,11,13H,5-6,8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,13+/m0/s1
InChIKeyGECORBRCCDGPMT-DALSCRRLSA-N
MW295.77 g/mol
LogP2.81
Rot. Bonds4

About cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120675394) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120675394
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namecis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-9(10-3-2-4-12(16)7-10)14(18)17-13-6-5-11(8-13)15(19)20/h2-4,7,9,11,13H,5-6,8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,13+/m0/s1
InChIKeyGECORBRCCDGPMT-DALSCRRLSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112
cis-(1S,3R)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676976
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120675394) is cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is CC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(Cl)c1.
What is the InChIKey of cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GECORBRCCDGPMT-DALSCRRLSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9(10-3-2-4-12(16)7-10)14(18)17-13-6-5-11(8-13)15(19)20/h2-4,7,9,11,13H,5-6,8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).