(4-hydroxy-3-methylbutan-2-yl) carbamate

C6H13NO3 — CID 88828205

IUPAC(4-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(CO)C(C)OC(N)=O
InChIInChI=1S/C6H13NO3/c1-4(3-8)5(2)10-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyREGJPGUBQYIVBG-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.10
Rot. Bonds3

About (4-hydroxy-3-methylbutan-2-yl) carbamate

(4-hydroxy-3-methylbutan-2-yl) carbamate (PubChem CID 88828205) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (4-hydroxy-3-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(4-hydroxy-3-methylbutan-2-yl) carbamate
PubChem CID88828205
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(4-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(CO)C(C)OC(N)=O
InChIInChI=1S/C6H13NO3/c1-4(3-8)5(2)10-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyREGJPGUBQYIVBG-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylbutan-2-yl) carbamate?
The IUPAC name of (4-hydroxy-3-methylbutan-2-yl) carbamate (CID 88828205) is (4-hydroxy-3-methylbutan-2-yl) carbamate.
What is the SMILES notation for (4-hydroxy-3-methylbutan-2-yl) carbamate?
The canonical SMILES for (4-hydroxy-3-methylbutan-2-yl) carbamate is CC(CO)C(C)OC(N)=O.
What is the InChIKey of (4-hydroxy-3-methylbutan-2-yl) carbamate?
The InChIKey is REGJPGUBQYIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(3-8)5(2)10-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9).
What are the key properties of (4-hydroxy-3-methylbutan-2-yl) carbamate?
(4-hydroxy-3-methylbutan-2-yl) carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylbutan-2-yl) carbamate is sourced from PubChem (CID 88828205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).