2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid

C14H26N2O2 — CID 63323969

IUPAC2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CCCCC1)N1CCCNCC1
InChIInChI=1S/C14H26N2O2/c1-14(13(17)18,12-6-3-2-4-7-12)16-10-5-8-15-9-11-16/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyRRFAPOOXCXAWQB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.71
Rot. Bonds3

About 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid

2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid (PubChem CID 63323969) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
PubChem CID63323969
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CCCCC1)N1CCCNCC1
InChIInChI=1S/C14H26N2O2/c1-14(13(17)18,12-6-3-2-4-7-12)16-10-5-8-15-9-11-16/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyRRFAPOOXCXAWQB-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid?
The IUPAC name of 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid (CID 63323969) is 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid?
The canonical SMILES for 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid is CC(C(=O)O)(C1CCCCC1)N1CCCNCC1.
What is the InChIKey of 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid?
The InChIKey is RRFAPOOXCXAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(13(17)18,12-6-3-2-4-7-12)16-10-5-8-15-9-11-16/h12,15H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid?
2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid is sourced from PubChem (CID 63323969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).