[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate

C9H19NO5 — CID 142755204

IUPAC[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)(CO)CO
InChIInChI=1S/C9H19NO5/c1-8(2,3)10-7(14)15-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyJNWKSJYANOQIJH-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.77
Rot. Bonds4

About [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate

[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate (PubChem CID 142755204) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
PubChem CID142755204
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)(CO)CO
InChIInChI=1S/C9H19NO5/c1-8(2,3)10-7(14)15-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyJNWKSJYANOQIJH-UHFFFAOYSA-N
XLogP-0.77
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate 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

tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 11593669
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 14578673
tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
CID 545378
(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
CID 142733173
(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
CID 175189297
tert-butyl N-[1-(3-hydroxypropoxy)-2-methylpropan-2-yl]carbamate
CID 59614772
[1-(hydroxymethyl)cyclopropyl] N-tert-butylcarbamate
CID 66733334
2-hydroxyethyl N-tert-butylcarbamate
CID 79345635
propan-2-yl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 81965123
Tert-butyl [2-(2-hydroxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645524
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647

Frequently Asked Questions

What is the IUPAC name of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate (CID 142755204) is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CO)(CO)CO.
What is the InChIKey of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate?
The InChIKey is JNWKSJYANOQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-8(2,3)10-7(14)15-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14).
What are the key properties of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate?
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate has a molecular weight of 221.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 142755204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).