(2-hydroxy-2-methylbutyl) carbamate

C6H13NO3 — CID 174983694

IUPAC(2-hydroxy-2-methylbutyl) carbamate
SMILESCCC(C)(O)COC(N)=O
InChIInChI=1S/C6H13NO3/c1-3-6(2,9)4-10-5(7)8/h9H,3-4H2,1-2H3,(H2,7,8)
InChIKeySIJYPABVQMHPJU-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.24
Rot. Bonds3

About (2-hydroxy-2-methylbutyl) carbamate

(2-hydroxy-2-methylbutyl) carbamate (PubChem CID 174983694) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2-hydroxy-2-methylbutyl) carbamate.

Molecular Properties

Compound Name(2-hydroxy-2-methylbutyl) carbamate
PubChem CID174983694
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2-hydroxy-2-methylbutyl) carbamate
SMILESCCC(C)(O)COC(N)=O
InChIInChI=1S/C6H13NO3/c1-3-6(2,9)4-10-5(7)8/h9H,3-4H2,1-2H3,(H2,7,8)
InChIKeySIJYPABVQMHPJU-UHFFFAOYSA-N
XLogP0.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylbutyl) carbamate?
The IUPAC name of (2-hydroxy-2-methylbutyl) carbamate (CID 174983694) is (2-hydroxy-2-methylbutyl) carbamate.
What is the SMILES notation for (2-hydroxy-2-methylbutyl) carbamate?
The canonical SMILES for (2-hydroxy-2-methylbutyl) carbamate is CCC(C)(O)COC(N)=O.
What is the InChIKey of (2-hydroxy-2-methylbutyl) carbamate?
The InChIKey is SIJYPABVQMHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-6(2,9)4-10-5(7)8/h9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of (2-hydroxy-2-methylbutyl) carbamate?
(2-hydroxy-2-methylbutyl) carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylbutyl) carbamate is sourced from PubChem (CID 174983694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).