2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid

C15H25NO3 — CID 116817195

IUPAC2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(NC(=O)CCC2CCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(9-6-11-2-1-3-11)16-13-7-4-12(5-8-13)10-15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyGJSOLVJGQUHYDU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid

2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid (PubChem CID 116817195) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid
PubChem CID116817195
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(NC(=O)CCC2CCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(9-6-11-2-1-3-11)16-13-7-4-12(5-8-13)10-15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyGJSOLVJGQUHYDU-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
4-cyclobutyl-N-[4-(hydroxymethyl)cyclohexyl]butanamide
CID 115277387
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid (CID 116817195) is 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid is O=C(O)CC1CCC(NC(=O)CCC2CCC2)CC1.
What is the InChIKey of 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid?
The InChIKey is GJSOLVJGQUHYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(9-6-11-2-1-3-11)16-13-7-4-12(5-8-13)10-15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid?
2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 116817195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).