1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid

C15H25NO3 — CID 43329530

IUPAC1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCC1CCCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(9-8-12-6-2-1-3-7-12)16-15(14(18)19)10-4-5-11-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyPRWGTUOPDVIPNM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid

1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 43329530) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID43329530
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(CCC1CCCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(9-8-12-6-2-1-3-7-12)16-15(14(18)19)10-4-5-11-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyPRWGTUOPDVIPNM-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid (CID 43329530) is 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid is O=C(CCC1CCCCC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PRWGTUOPDVIPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(9-8-12-6-2-1-3-7-12)16-15(14(18)19)10-4-5-11-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid?
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).