1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid

C14H25NO3 — CID 82984418

IUPAC1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CCC)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-11(8-4-2)12(16)15-14(13(17)18)9-5-6-10-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWTEMYXUIUSMVNI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid

1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82984418) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID82984418
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CCC)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-11(8-4-2)12(16)15-14(13(17)18)9-5-6-10-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWTEMYXUIUSMVNI-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-carbamothioylcycloheptyl)-2-propylpentanamide
CID 82984373
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 43360267
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 107472477
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 103309120

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid (CID 82984418) is 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid is CCCC(CCC)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WTEMYXUIUSMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-7-11(8-4-2)12(16)15-14(13(17)18)9-5-6-10-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid?
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82984418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).