4-hydroxypentan-2-yl N-methylcarbamate

C7H15NO3 — CID 175361928

IUPAC4-hydroxypentan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CC(C)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-6(2)11-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10)
InChIKeyNWRCAGALZKJIBE-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.50
Rot. Bonds3

About 4-hydroxypentan-2-yl N-methylcarbamate

4-hydroxypentan-2-yl N-methylcarbamate (PubChem CID 175361928) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-hydroxypentan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name4-hydroxypentan-2-yl N-methylcarbamate
PubChem CID175361928
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-hydroxypentan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CC(C)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-6(2)11-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10)
InChIKeyNWRCAGALZKJIBE-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
pentan-2-yl N-methylcarbamate
CID 87800864
1-hydroxyethyl N-methylcarbamate
CID 21270273
1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
CID 157191539
4-hydroxypentan-2-yl acetate;methane
CID 161366769
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate
CID 89183272
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
tris(2-methoxyethyl N-methylcarbamate);1-methoxypropan-2-yl N-methylcarbamate
CID 157473394
4-hydroxypentan-2-yl 2-methylbut-2-enoate
CID 91259423

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypentan-2-yl N-methylcarbamate?
The IUPAC name of 4-hydroxypentan-2-yl N-methylcarbamate (CID 175361928) is 4-hydroxypentan-2-yl N-methylcarbamate.
What is the SMILES notation for 4-hydroxypentan-2-yl N-methylcarbamate?
The canonical SMILES for 4-hydroxypentan-2-yl N-methylcarbamate is CNC(=O)OC(C)CC(C)O.
What is the InChIKey of 4-hydroxypentan-2-yl N-methylcarbamate?
The InChIKey is NWRCAGALZKJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)4-6(2)11-7(10)8-3/h5-6,9H,4H2,1-3H3,(H,8,10).
What are the key properties of 4-hydroxypentan-2-yl N-methylcarbamate?
4-hydroxypentan-2-yl N-methylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypentan-2-yl N-methylcarbamate is sourced from PubChem (CID 175361928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).