cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid

C13H23NO4 — CID 114093307

IUPACcis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)NCCCCCCO
InChIInChI=1S/C13H23NO4/c15-9-4-2-1-3-8-14-12(16)10-6-5-7-11(10)13(17)18/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyWUYOUERSGKUQQR-MNOVXSKESA-N
MW257.33 g/mol
LogP1.16
Rot. Bonds8

About cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114093307) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114093307
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namecis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)NCCCCCCO
InChIInChI=1S/C13H23NO4/c15-9-4-2-1-3-8-14-12(16)10-6-5-7-11(10)13(17)18/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyWUYOUERSGKUQQR-MNOVXSKESA-N
XLogP1.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 113361074
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114093307) is cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@H]1C(=O)NCCCCCCO.
What is the InChIKey of cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is WUYOUERSGKUQQR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23NO4/c15-9-4-2-1-3-8-14-12(16)10-6-5-7-11(10)13(17)18/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114093307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).