3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide

C13H25N3O3 — CID 23140727

IUPAC3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C13H25N3O3/c17-7-5-15(6-8-18)12-9-16(10-12)13(19)14-11-3-1-2-4-11/h11-12,17-18H,1-10H2,(H,14,19)
InChIKeyWQOFPUNZMDSPKG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.39
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide

3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide (PubChem CID 23140727) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide
PubChem CID23140727
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C13H25N3O3/c17-7-5-15(6-8-18)12-9-16(10-12)13(19)14-11-3-1-2-4-11/h11-12,17-18H,1-10H2,(H,14,19)
InChIKeyWQOFPUNZMDSPKG-UHFFFAOYSA-N
XLogP-0.39
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide 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 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide (CID 23140727) is 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide is O=C(NC1CCCC1)N1CC(N(CCO)CCO)C1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The InChIKey is WQOFPUNZMDSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c17-7-5-15(6-8-18)12-9-16(10-12)13(19)14-11-3-1-2-4-11/h11-12,17-18H,1-10H2,(H,14,19).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide?
3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide is sourced from PubChem (CID 23140727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).