(3-hydroxy-3-methylbutyl) carbamate

C6H13NO3 — CID 141371856

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

About (3-hydroxy-3-methylbutyl) carbamate

(3-hydroxy-3-methylbutyl) carbamate (PubChem CID 141371856) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3-hydroxy-3-methylbutyl) carbamate.

Molecular Properties

Compound Name(3-hydroxy-3-methylbutyl) carbamate
PubChem CID141371856
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3-hydroxy-3-methylbutyl) carbamate
SMILESCC(C)(O)CCOC(N)=O
InChIInChI=1S/C6H13NO3/c1-6(2,9)3-4-10-5(7)8/h9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyYUQRHEJNVIUWLZ-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 (3-hydroxy-3-methylbutyl) carbamate?
The IUPAC name of (3-hydroxy-3-methylbutyl) carbamate (CID 141371856) is (3-hydroxy-3-methylbutyl) carbamate.
What is the SMILES notation for (3-hydroxy-3-methylbutyl) carbamate?
The canonical SMILES for (3-hydroxy-3-methylbutyl) carbamate is CC(C)(O)CCOC(N)=O.
What is the InChIKey of (3-hydroxy-3-methylbutyl) carbamate?
The InChIKey is YUQRHEJNVIUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,9)3-4-10-5(7)8/h9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of (3-hydroxy-3-methylbutyl) carbamate?
(3-hydroxy-3-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 (3-hydroxy-3-methylbutyl) carbamate is sourced from PubChem (CID 141371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).