ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate

C22H27N2O3P — CID 134471331

IUPACethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(C)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1
InChIInChI=1S/C22H27N2O3P/c1-3-27-21(25)22(14-15-22)18(2)28(26)23(19-10-6-4-7-11-19)16-17-24(28)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3
InChIKeySDTMDLAQUVTNCR-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.94
Rot. Bonds6

About ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate

ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate (PubChem CID 134471331) has the molecular formula C22H27N2O3P and a molecular weight of 398.44 g/mol. Its IUPAC name is ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate
PubChem CID134471331
Molecular FormulaC22H27N2O3P
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Nameethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(C)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1
InChIInChI=1S/C22H27N2O3P/c1-3-27-21(25)22(14-15-22)18(2)28(26)23(19-10-6-4-7-11-19)16-17-24(28)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3
InChIKeySDTMDLAQUVTNCR-UHFFFAOYSA-N
XLogP4.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate 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 ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate (CID 134471331) is ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C(C)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is SDTMDLAQUVTNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2O3P/c1-3-27-21(25)22(14-15-22)18(2)28(26)23(19-10-6-4-7-11-19)16-17-24(28)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3.
What are the key properties of ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate?
ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 398.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 134471331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).