methyl N-(3-hydroxypropyl)-N-methylcarbamate

C6H13NO3 — CID 119098587

IUPACmethyl N-(3-hydroxypropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCCO
InChIInChI=1S/C6H13NO3/c1-7(4-3-5-8)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyZOZILPSQKJNDDE-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.07
Rot. Bonds3

About methyl N-(3-hydroxypropyl)-N-methylcarbamate

methyl N-(3-hydroxypropyl)-N-methylcarbamate (PubChem CID 119098587) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl N-(3-hydroxypropyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-hydroxypropyl)-N-methylcarbamate
PubChem CID119098587
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl N-(3-hydroxypropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCCO
InChIInChI=1S/C6H13NO3/c1-7(4-3-5-8)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyZOZILPSQKJNDDE-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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Related Compounds

methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
methyl N-(3-acetamidopropyl)-N-methylcarbamate
CID 89255429
methyl N-hexyl-N-methylcarbamate
CID 14923771
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
CID 79345501
methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate
CID 110459514
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
CID 107202841
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
3-(3-hydroxypropylamino)propyl-methylcarbamic acid
CID 174166438
5-hydroxypentyl(methyl)carbamic acid
CID 90197062

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-hydroxypropyl)-N-methylcarbamate?
The IUPAC name of methyl N-(3-hydroxypropyl)-N-methylcarbamate (CID 119098587) is methyl N-(3-hydroxypropyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(3-hydroxypropyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(3-hydroxypropyl)-N-methylcarbamate is COC(=O)N(C)CCCO.
What is the InChIKey of methyl N-(3-hydroxypropyl)-N-methylcarbamate?
The InChIKey is ZOZILPSQKJNDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(4-3-5-8)6(9)10-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl N-(3-hydroxypropyl)-N-methylcarbamate?
methyl N-(3-hydroxypropyl)-N-methylcarbamate 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-(3-hydroxypropyl)-N-methylcarbamate is sourced from PubChem (CID 119098587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).