4-(dicyclohexylamino)butanoic acid

C16H29NO2 — CID 28942679

IUPAC4-(dicyclohexylamino)butanoic acid
SMILESO=C(O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c18-16(19)12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2,(H,18,19)
InChIKeyBAWJKPUAIZYHLJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.82
Rot. Bonds6

About 4-(dicyclohexylamino)butanoic acid

4-(dicyclohexylamino)butanoic acid (PubChem CID 28942679) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-(dicyclohexylamino)butanoic acid.

Molecular Properties

Compound Name4-(dicyclohexylamino)butanoic acid
PubChem CID28942679
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-(dicyclohexylamino)butanoic acid
SMILESO=C(O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c18-16(19)12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2,(H,18,19)
InChIKeyBAWJKPUAIZYHLJ-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dicyclohexylamino)butanoic 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-(Dicyclohexylamino)-4-oxobutanoic acid
CID 586586
5-(Dicyclohexylamino)pentanoic acid
CID 28972348
Methyl 4-(dicyclohexylamino)butanoate
CID 230344
1-Cyclohexylpiperidine-4-carboxylic acid
CID 17604060
3-(Dicyclohexylamino)propanoic acid
CID 20364399
1-Piperidinebutanoic acid, 2-methyl-
CID 20568358
4-(Cyclohexylmethylamino)butanoic acid
CID 20985389
4-[(2S)-2-methylpiperidin-1-yl]butanoic acid
CID 42304072
N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid
CID 68631042
N-cyclohexyl-N-methylcyclohexanamine;propanoic acid
CID 173098738
butanoic acid;N-cyclohexyl-N-methylcyclohexanamine
CID 173098809
N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
CID 173099176

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclohexylamino)butanoic acid?
The IUPAC name of 4-(dicyclohexylamino)butanoic acid (CID 28942679) is 4-(dicyclohexylamino)butanoic acid.
What is the SMILES notation for 4-(dicyclohexylamino)butanoic acid?
The canonical SMILES for 4-(dicyclohexylamino)butanoic acid is O=C(O)CCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-(dicyclohexylamino)butanoic acid?
The InChIKey is BAWJKPUAIZYHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-16(19)12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h14-15H,1-13H2,(H,18,19).
What are the key properties of 4-(dicyclohexylamino)butanoic acid?
4-(dicyclohexylamino)butanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclohexylamino)butanoic acid is sourced from PubChem (CID 28942679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).