[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate

C10H18N2O5 — CID 89092299

IUPAC[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate
SMILESCCC(=O)OC(CO)CNC(=O)NCC1CO1
InChIInChI=1S/C10H18N2O5/c1-2-9(14)17-7(5-13)3-11-10(15)12-4-8-6-16-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15)
InChIKeyIDWPLUULXHDULK-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.00
Rot. Bonds7

About [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate

[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate (PubChem CID 89092299) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate.

Molecular Properties

Compound Name[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate
PubChem CID89092299
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate
SMILESCCC(=O)OC(CO)CNC(=O)NCC1CO1
InChIInChI=1S/C10H18N2O5/c1-2-9(14)17-7(5-13)3-11-10(15)12-4-8-6-16-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15)
InChIKeyIDWPLUULXHDULK-UHFFFAOYSA-N
XLogP-1.00
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate?
The IUPAC name of [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate (CID 89092299) is [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate.
What is the SMILES notation for [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate?
The canonical SMILES for [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate is CCC(=O)OC(CO)CNC(=O)NCC1CO1.
What is the InChIKey of [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate?
The InChIKey is IDWPLUULXHDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-9(14)17-7(5-13)3-11-10(15)12-4-8-6-16-8/h7-8,13H,2-6H2,1H3,(H2,11,12,15).
What are the key properties of [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate?
[1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate has a molecular weight of 246.26 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(oxiran-2-ylmethylcarbamoylamino)propan-2-yl] propanoate is sourced from PubChem (CID 89092299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).