3-hydroxybutan-2-yl N-methylcarbamate

C6H13NO3 — CID 55286008

IUPAC3-hydroxybutan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)5(2)10-6(9)7-3/h4-5,8H,1-3H3,(H,7,9)
InChIKeyHUZDJPIICAVWQJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.11
Rot. Bonds2

About 3-hydroxybutan-2-yl N-methylcarbamate

3-hydroxybutan-2-yl N-methylcarbamate (PubChem CID 55286008) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-hydroxybutan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name3-hydroxybutan-2-yl N-methylcarbamate
PubChem CID55286008
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-hydroxybutan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(8)5(2)10-6(9)7-3/h4-5,8H,1-3H3,(H,7,9)
InChIKeyHUZDJPIICAVWQJ-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxyethyl N-methylcarbamate
CID 21270273
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
butane-2,3-diol;carbononitridic bromide;4,5-dimethyl-1,3-dioxolan-2-imine;3-hydroxybutan-2-yl N-methylcarbamate;methane
CID 158362270
ethyl 4-(methylcarbamoyloxy)pent-2-ynoate
CID 15057367
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
pentan-2-yl N-methylcarbamate
CID 87800864
3-hydroxybutan-2-yl carbamate
CID 20700654
3-hydroxybutan-2-yl acetate;3-oxobutan-2-yl acetate
CID 54434658
1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
CID 157191539
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
CID 101353524
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutan-2-yl N-methylcarbamate?
The IUPAC name of 3-hydroxybutan-2-yl N-methylcarbamate (CID 55286008) is 3-hydroxybutan-2-yl N-methylcarbamate.
What is the SMILES notation for 3-hydroxybutan-2-yl N-methylcarbamate?
The canonical SMILES for 3-hydroxybutan-2-yl N-methylcarbamate is CNC(=O)OC(C)C(C)O.
What is the InChIKey of 3-hydroxybutan-2-yl N-methylcarbamate?
The InChIKey is HUZDJPIICAVWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)5(2)10-6(9)7-3/h4-5,8H,1-3H3,(H,7,9).
What are the key properties of 3-hydroxybutan-2-yl N-methylcarbamate?
3-hydroxybutan-2-yl N-methylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutan-2-yl N-methylcarbamate is sourced from PubChem (CID 55286008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).