(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate

C7H15NO3 — CID 34180528

IUPAC(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate
SMILESCNC(=O)OCC(C)(C)CO
InChIInChI=1S/C7H15NO3/c1-7(2,4-9)5-11-6(10)8-3/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyNWWNKQSSEGYLTE-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.36
Rot. Bonds3

About (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate

(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate (PubChem CID 34180528) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate
PubChem CID34180528
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate
SMILESCNC(=O)OCC(C)(C)CO
InChIInChI=1S/C7H15NO3/c1-7(2,4-9)5-11-6(10)8-3/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyNWWNKQSSEGYLTE-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate?
The IUPAC name of (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate (CID 34180528) is (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate?
The canonical SMILES for (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate is CNC(=O)OCC(C)(C)CO.
What is the InChIKey of (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate?
The InChIKey is NWWNKQSSEGYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,4-9)5-11-6(10)8-3/h9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate?
(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate is sourced from PubChem (CID 34180528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).