ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

C7H14N3O3P — CID 9332

💊View drug profile → uredepa
IUPACethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
SMILESCCOC(=O)NP(=O)(N1CC1)N1CC1
InChIInChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12)
InChIKeySPDZFJLQFWSJGA-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.47
Rot. Bonds4

About ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate (PubChem CID 9332) has the molecular formula C7H14N3O3P and a molecular weight of 219.18 g/mol. Its IUPAC name is ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.

Molecular Properties

Compound Nameethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
PubChem CID9332
Molecular FormulaC7H14N3O3P
Molecular Weight219.18 g/mol
Exact Mass219.08
IUPAC Nameethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
SMILESCCOC(=O)NP(=O)(N1CC1)N1CC1
InChIInChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12)
InChIKeySPDZFJLQFWSJGA-UHFFFAOYSA-N
XLogP0.47
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate 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

Meturedepa
CID 15456
Carbamic acid, ((bis(1-aziridinyl)phosphinyl)oxy)-, ethyl ester
CID 41192
aziridine;ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
CID 175554274
bis(aziridin-1-yl)phosphorylcarbamic acid;ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
CID 17898267
methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
CID 138755456

Frequently Asked Questions

What is the IUPAC name of ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The IUPAC name of ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate (CID 9332) is ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.
What is the SMILES notation for ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The canonical SMILES for ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate is CCOC(=O)NP(=O)(N1CC1)N1CC1.
What is the InChIKey of ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The InChIKey is SPDZFJLQFWSJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12).
What are the key properties of ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate has a molecular weight of 219.18 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate is sourced from PubChem (CID 9332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).