4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid

C15H27NO3 — CID 119172655

IUPAC4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
SMILESCC(CC(=O)N(C)CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-12(13-7-4-3-5-8-13)11-14(17)16(2)10-6-9-15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyHVMUHJHIBMHASV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds7

About 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid

4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid (PubChem CID 119172655) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
PubChem CID119172655
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
SMILESCC(CC(=O)N(C)CCCC(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-12(13-7-4-3-5-8-13)11-14(17)16(2)10-6-9-15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyHVMUHJHIBMHASV-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide
CID 111695608
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
5-cyclopentylhexanoic acid
CID 69016722
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
4-[3,5-dimethylhexanoyl(methyl)amino]butanoic acid
CID 119172664
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
4-[3-ethylpentanoyl(methyl)amino]butanoic acid
CID 119347002
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-cyclobutylbutanoic acid
CID 82594402

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid (CID 119172655) is 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid is CC(CC(=O)N(C)CCCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid?
The InChIKey is HVMUHJHIBMHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(13-7-4-3-5-8-13)11-14(17)16(2)10-6-9-15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid?
4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 119172655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).