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'}

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Related Compounds

1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 155289327
1-(3-Hydroxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 58435316
1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
6-Hydroxy-1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 88914724
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
1-(Hydroxymethyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 89219969
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]formamide
CID 124007174
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 134566947
1-(Butylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 138717456
N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 139352309
1-Hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 143811401

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).