1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea

C11H19N3O5 — CID 90243288

IUPAC1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
SMILESO=C(NCCCO)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H19N3O5/c15-3-1-2-12-10(16)14(5-9-7-19-9)11(17)13-4-8-6-18-8/h8-9,15H,1-7H2,(H,12,16)(H,13,17)
InChIKeyLXSHDJPDSRVKRW-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.11
Rot. Bonds7

About 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea

1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea (PubChem CID 90243288) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
PubChem CID90243288
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
SMILESO=C(NCCCO)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H19N3O5/c15-3-1-2-12-10(16)14(5-9-7-19-9)11(17)13-4-8-6-18-8/h8-9,15H,1-7H2,(H,12,16)(H,13,17)
InChIKeyLXSHDJPDSRVKRW-UHFFFAOYSA-N
XLogP-1.11
TPSA106.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea 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 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea (CID 90243288) is 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea is O=C(NCCCO)N(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea?
The InChIKey is LXSHDJPDSRVKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c15-3-1-2-12-10(16)14(5-9-7-19-9)11(17)13-4-8-6-18-8/h8-9,15H,1-7H2,(H,12,16)(H,13,17).
What are the key properties of 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea?
1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea has a molecular weight of 273.29 g/mol, XLogP of -1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 90243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).