(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate

C10H21NO3 — CID 177178404

IUPAC(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate
SMILESCCC(C)(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-10(5,13)7-14-8(12)11-9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyPBMVOCAHDMGZSV-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.67
Rot. Bonds3

About (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate

(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate (PubChem CID 177178404) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate
PubChem CID177178404
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate
SMILESCCC(C)(O)COC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-10(5,13)7-14-8(12)11-9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyPBMVOCAHDMGZSV-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.67
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) N-tert-butylcarbamate?
The IUPAC name of (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate (CID 177178404) is (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate?
The canonical SMILES for (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate is CCC(C)(O)COC(=O)NC(C)(C)C.
What is the InChIKey of (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate?
The InChIKey is PBMVOCAHDMGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-10(5,13)7-14-8(12)11-9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12).
What are the key properties of (2-hydroxy-2-methylbutyl) N-tert-butylcarbamate?
(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.67, 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) N-tert-butylcarbamate is sourced from PubChem (CID 177178404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).