methyl N-(2-hydroxyethyl)carbamate

C4H9NO3 — CID 12701621

IUPACmethyl N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)NCCO
InChIInChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKeyZLADYZHDLCSTJV-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.67
Rot. Bonds2

About methyl N-(2-hydroxyethyl)carbamate

methyl N-(2-hydroxyethyl)carbamate (PubChem CID 12701621) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is methyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxyethyl)carbamate
PubChem CID12701621
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemethyl N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)NCCO
InChIInChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKeyZLADYZHDLCSTJV-UHFFFAOYSA-N
XLogP-0.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of methyl N-(2-hydroxyethyl)carbamate (CID 12701621) is methyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxyethyl)carbamate is COC(=O)NCCO.
What is the InChIKey of methyl N-(2-hydroxyethyl)carbamate?
The InChIKey is ZLADYZHDLCSTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7).
What are the key properties of methyl N-(2-hydroxyethyl)carbamate?
methyl N-(2-hydroxyethyl)carbamate has a molecular weight of 119.12 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 12701621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).