[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate

C7H15NO3 — CID 175027230

IUPAC[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)[C@@H](O)COC(N)=O
InChIInChI=1S/C7H15NO3/c1-7(2,3)5(9)4-11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1
InChIKeyMSNPGAXLSLZFAA-YFKPBYRVSA-N
MW161.20 g/mol
LogP0.49
Rot. Bonds2

About [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate

[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate (PubChem CID 175027230) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
PubChem CID175027230
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)[C@@H](O)COC(N)=O
InChIInChI=1S/C7H15NO3/c1-7(2,3)5(9)4-11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1
InChIKeyMSNPGAXLSLZFAA-YFKPBYRVSA-N
XLogP0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate?
The IUPAC name of [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate (CID 175027230) is [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate.
What is the SMILES notation for [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate?
The canonical SMILES for [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate is CC(C)(C)[C@@H](O)COC(N)=O.
What is the InChIKey of [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate?
The InChIKey is MSNPGAXLSLZFAA-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)5(9)4-11-6(8)10/h5,9H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate?
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 175027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).