5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid

C15H27NO3 — CID 67699840

IUPAC5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CCCC1CCCCC1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-16(14(17)10-5-11-15(18)19)12-6-9-13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H,18,19)
InChIKeyMXOZACHVGGKAHC-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds8

About 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid

5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 67699840) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
PubChem CID67699840
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CCCC1CCCCC1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H27NO3/c1-16(14(17)10-5-11-15(18)19)12-6-9-13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H,18,19)
InChIKeyMXOZACHVGGKAHC-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107202086
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid (CID 67699840) is 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid is CN(CCCC1CCCCC1)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is MXOZACHVGGKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16(14(17)10-5-11-15(18)19)12-6-9-13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid?
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 67699840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).