cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid

C16H27NO3 — CID 106320958

IUPACcis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCCC1CCCCC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14-10-9-13(11-14)16(19)20/h12-14H,1-11H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
InChIKeyDQFJJPCJCIWSDH-KGLIPLIRSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds6

About cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320958) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID106320958
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namecis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCCC1CCCCC1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14-10-9-13(11-14)16(19)20/h12-14H,1-11H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
InChIKeyDQFJJPCJCIWSDH-KGLIPLIRSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
4-cyclobutyl-N-[4-(hydroxymethyl)cyclohexyl]butanamide
CID 115277387
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid (CID 106320958) is cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid is O=C(CCCC1CCCCC1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DQFJJPCJCIWSDH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14-10-9-13(11-14)16(19)20/h12-14H,1-11H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).