cyclobutyl N-(2,3-dihydroxypropyl)carbamate

C8H15NO4 — CID 156816353

IUPACcyclobutyl N-(2,3-dihydroxypropyl)carbamate
SMILESO=C(NCC(O)CO)OC1CCC1
InChIInChI=1S/C8H15NO4/c10-5-6(11)4-9-8(12)13-7-2-1-3-7/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyRUOILEPVTBKQHZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.38
Rot. Bonds4

About cyclobutyl N-(2,3-dihydroxypropyl)carbamate

cyclobutyl N-(2,3-dihydroxypropyl)carbamate (PubChem CID 156816353) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is cyclobutyl N-(2,3-dihydroxypropyl)carbamate.

Molecular Properties

Compound Namecyclobutyl N-(2,3-dihydroxypropyl)carbamate
PubChem CID156816353
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namecyclobutyl N-(2,3-dihydroxypropyl)carbamate
SMILESO=C(NCC(O)CO)OC1CCC1
InChIInChI=1S/C8H15NO4/c10-5-6(11)4-9-8(12)13-7-2-1-3-7/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyRUOILEPVTBKQHZ-UHFFFAOYSA-N
XLogP-0.38
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cyclobutyl N-(2,3-dihydroxypropyl)carbamate 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 cyclobutyl N-(2,3-dihydroxypropyl)carbamate?
The IUPAC name of cyclobutyl N-(2,3-dihydroxypropyl)carbamate (CID 156816353) is cyclobutyl N-(2,3-dihydroxypropyl)carbamate.
What is the SMILES notation for cyclobutyl N-(2,3-dihydroxypropyl)carbamate?
The canonical SMILES for cyclobutyl N-(2,3-dihydroxypropyl)carbamate is O=C(NCC(O)CO)OC1CCC1.
What is the InChIKey of cyclobutyl N-(2,3-dihydroxypropyl)carbamate?
The InChIKey is RUOILEPVTBKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-5-6(11)4-9-8(12)13-7-2-1-3-7/h6-7,10-11H,1-5H2,(H,9,12).
What are the key properties of cyclobutyl N-(2,3-dihydroxypropyl)carbamate?
cyclobutyl N-(2,3-dihydroxypropyl)carbamate has a molecular weight of 189.21 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(2,3-dihydroxypropyl)carbamate is sourced from PubChem (CID 156816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).