[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate

C7H15NO5 — CID 87800776

IUPAC[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate
SMILESCNC(=O)OCC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c1-8-6(12)13-5-7(2-9,3-10)4-11/h9-11H,2-5H2,1H3,(H,8,12)
InChIKeyZJUXWXROXYYODS-UHFFFAOYSA-N
MW193.20 g/mol
LogP-1.69
Rot. Bonds5

About [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate (PubChem CID 87800776) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate
PubChem CID87800776
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate
SMILESCNC(=O)OCC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c1-8-6(12)13-5-7(2-9,3-10)4-11/h9-11H,2-5H2,1H3,(H,8,12)
InChIKeyZJUXWXROXYYODS-UHFFFAOYSA-N
XLogP-1.69
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate 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 [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate?
The IUPAC name of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate (CID 87800776) is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate.
What is the SMILES notation for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate?
The canonical SMILES for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate is CNC(=O)OCC(CO)(CO)CO.
What is the InChIKey of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate?
The InChIKey is ZJUXWXROXYYODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8-6(12)13-5-7(2-9,3-10)4-11/h9-11H,2-5H2,1H3,(H,8,12).
What are the key properties of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate?
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate has a molecular weight of 193.20 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate is sourced from PubChem (CID 87800776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).