2-hydroxypropyl N,N-dimethylcarbamate

C6H13NO3 — CID 12072374

IUPAC2-hydroxypropyl N,N-dimethylcarbamate
SMILESCC(O)COC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(8)4-10-6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyDYZIRXQYWZJVJO-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.07
Rot. Bonds2

About 2-hydroxypropyl N,N-dimethylcarbamate

2-hydroxypropyl N,N-dimethylcarbamate (PubChem CID 12072374) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxypropyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-hydroxypropyl N,N-dimethylcarbamate
PubChem CID12072374
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxypropyl N,N-dimethylcarbamate
SMILESCC(O)COC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(8)4-10-6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyDYZIRXQYWZJVJO-UHFFFAOYSA-N
XLogP0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2-hydroxypropyl N,N-dimethylcarbamate?
The IUPAC name of 2-hydroxypropyl N,N-dimethylcarbamate (CID 12072374) is 2-hydroxypropyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-hydroxypropyl N,N-dimethylcarbamate?
The canonical SMILES for 2-hydroxypropyl N,N-dimethylcarbamate is CC(O)COC(=O)N(C)C.
What is the InChIKey of 2-hydroxypropyl N,N-dimethylcarbamate?
The InChIKey is DYZIRXQYWZJVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(8)4-10-6(9)7(2)3/h5,8H,4H2,1-3H3.
What are the key properties of 2-hydroxypropyl N,N-dimethylcarbamate?
2-hydroxypropyl N,N-dimethylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl N,N-dimethylcarbamate is sourced from PubChem (CID 12072374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).