1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 119132497

IUPAC1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H27NO3/c1-12(11-13-7-3-4-8-13)14(18)17-16(15(19)20)9-5-2-6-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyIDYXILHTBDPZOA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds5

About 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid

1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119132497) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119132497
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H27NO3/c1-12(11-13-7-3-4-8-13)14(18)17-16(15(19)20)9-5-2-6-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyIDYXILHTBDPZOA-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 119132497) is 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid is CC(CC1CCCC1)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IDYXILHTBDPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(11-13-7-3-4-8-13)14(18)17-16(15(19)20)9-5-2-6-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119132497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).