methyl N-ethyl-N-(2-hydroxyethyl)carbamate

C6H13NO3 — CID 12587960

IUPACmethyl N-ethyl-N-(2-hydroxyethyl)carbamate
SMILESCCN(CCO)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-7(4-5-8)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyFTAGLBQHTCCTOW-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.07
Rot. Bonds3

About methyl N-ethyl-N-(2-hydroxyethyl)carbamate

methyl N-ethyl-N-(2-hydroxyethyl)carbamate (PubChem CID 12587960) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl N-ethyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-(2-hydroxyethyl)carbamate
PubChem CID12587960
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl N-ethyl-N-(2-hydroxyethyl)carbamate
SMILESCCN(CCO)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-7(4-5-8)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyFTAGLBQHTCCTOW-UHFFFAOYSA-N
XLogP0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of methyl N-ethyl-N-(2-hydroxyethyl)carbamate (CID 12587960) is methyl N-ethyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for methyl N-ethyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for methyl N-ethyl-N-(2-hydroxyethyl)carbamate is CCN(CCO)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is FTAGLBQHTCCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7(4-5-8)6(9)10-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl N-ethyl-N-(2-hydroxyethyl)carbamate?
methyl N-ethyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 12587960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).