(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate

C7H15NO3 — CID 134254407

IUPAC(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate
SMILESCC(CO)C(C)(C)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-5(4-9)7(2,3)11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10)
InChIKeyIQUNQIYPLITSTA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.49
Rot. Bonds3

About (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate

(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate (PubChem CID 134254407) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate
PubChem CID134254407
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate
SMILESCC(CO)C(C)(C)OC(N)=O
InChIInChI=1S/C7H15NO3/c1-5(4-9)7(2,3)11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10)
InChIKeyIQUNQIYPLITSTA-UHFFFAOYSA-N
XLogP0.49
TPSA72.55 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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate?
The IUPAC name of (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate (CID 134254407) is (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate.
What is the SMILES notation for (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate?
The canonical SMILES for (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate is CC(CO)C(C)(C)OC(N)=O.
What is the InChIKey of (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate?
The InChIKey is IQUNQIYPLITSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(4-9)7(2,3)11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10).
What are the key properties of (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate?
(4-hydroxy-2,3-dimethylbutan-2-yl) carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,3-dimethylbutan-2-yl) carbamate is sourced from PubChem (CID 134254407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).