methyl N-(1-methoxypropyl)carbamate

C6H13NO3 — CID 54361568

IUPACmethyl N-(1-methoxypropyl)carbamate
SMILESCCC(NC(=O)OC)OC
InChIInChI=1S/C6H13NO3/c1-4-5(9-2)7-6(8)10-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyUMWHHDJJOWITCD-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.72
Rot. Bonds3

About methyl N-(1-methoxypropyl)carbamate

methyl N-(1-methoxypropyl)carbamate (PubChem CID 54361568) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl N-(1-methoxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxypropyl)carbamate
PubChem CID54361568
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl N-(1-methoxypropyl)carbamate
SMILESCCC(NC(=O)OC)OC
InChIInChI=1S/C6H13NO3/c1-4-5(9-2)7-6(8)10-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyUMWHHDJJOWITCD-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 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 ≤ 50.72
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-methoxypropyl)carbamate?
The IUPAC name of methyl N-(1-methoxypropyl)carbamate (CID 54361568) is methyl N-(1-methoxypropyl)carbamate.
What is the SMILES notation for methyl N-(1-methoxypropyl)carbamate?
The canonical SMILES for methyl N-(1-methoxypropyl)carbamate is CCC(NC(=O)OC)OC.
What is the InChIKey of methyl N-(1-methoxypropyl)carbamate?
The InChIKey is UMWHHDJJOWITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-5(9-2)7-6(8)10-3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of methyl N-(1-methoxypropyl)carbamate?
methyl N-(1-methoxypropyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxypropyl)carbamate is sourced from PubChem (CID 54361568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).