2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate

C6H13NO5 — CID 52915445

IUPAC2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCC(O)CO
InChIInChI=1S/C6H13NO5/c8-2-1-7-6(11)12-4-5(10)3-9/h5,8-10H,1-4H2,(H,7,11)
InChIKeyQPYVMZXYLRHIQC-UHFFFAOYSA-N
MW179.17 g/mol
LogP-1.94
Rot. Bonds5

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

2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate (PubChem CID 52915445) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate
PubChem CID52915445
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCC(O)CO
InChIInChI=1S/C6H13NO5/c8-2-1-7-6(11)12-4-5(10)3-9/h5,8-10H,1-4H2,(H,7,11)
InChIKeyQPYVMZXYLRHIQC-UHFFFAOYSA-N
XLogP-1.94
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate (CID 52915445) is 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate is O=C(NCCO)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate?
The InChIKey is QPYVMZXYLRHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5/c8-2-1-7-6(11)12-4-5(10)3-9/h5,8-10H,1-4H2,(H,7,11).
What are the key properties of 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate?
2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate has a molecular weight of 179.17 g/mol, XLogP of -1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 52915445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).