methyl N-(1-methoxyethyl)carbamate

C5H11NO3 — CID 11815400

IUPACmethyl N-(1-methoxyethyl)carbamate
SMILESCOC(=O)NC(C)OC
InChIInChI=1S/C5H11NO3/c1-4(8-2)6-5(7)9-3/h4H,1-3H3,(H,6,7)
InChIKeyHCPGVUWTQZPNIQ-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.33
Rot. Bonds2

About methyl N-(1-methoxyethyl)carbamate

methyl N-(1-methoxyethyl)carbamate (PubChem CID 11815400) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl N-(1-methoxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxyethyl)carbamate
PubChem CID11815400
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl N-(1-methoxyethyl)carbamate
SMILESCOC(=O)NC(C)OC
InChIInChI=1S/C5H11NO3/c1-4(8-2)6-5(7)9-3/h4H,1-3H3,(H,6,7)
InChIKeyHCPGVUWTQZPNIQ-UHFFFAOYSA-N
XLogP0.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxyethyl)carbamate?
The IUPAC name of methyl N-(1-methoxyethyl)carbamate (CID 11815400) is methyl N-(1-methoxyethyl)carbamate.
What is the SMILES notation for methyl N-(1-methoxyethyl)carbamate?
The canonical SMILES for methyl N-(1-methoxyethyl)carbamate is COC(=O)NC(C)OC.
What is the InChIKey of methyl N-(1-methoxyethyl)carbamate?
The InChIKey is HCPGVUWTQZPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(8-2)6-5(7)9-3/h4H,1-3H3,(H,6,7).
What are the key properties of methyl N-(1-methoxyethyl)carbamate?
methyl N-(1-methoxyethyl)carbamate has a molecular weight of 133.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxyethyl)carbamate is sourced from PubChem (CID 11815400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).