1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid

C13H21NO3 — CID 115282657

IUPAC1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C(=O)NC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C13H21NO3/c1-9(10-5-6-10)11(15)14-13(12(16)17)7-3-2-4-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKBWMUAZQITJNP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid

1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 115282657) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID115282657
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C(=O)NC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C13H21NO3/c1-9(10-5-6-10)11(15)14-13(12(16)17)7-3-2-4-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKBWMUAZQITJNP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azetidin-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 116678206
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
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-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61201945
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid (CID 115282657) is 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid is CC(C(=O)NC1(C(=O)O)CCCCC1)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CKBWMUAZQITJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(10-5-6-10)11(15)14-13(12(16)17)7-3-2-4-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid?
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115282657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).