tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid

C11H23NO3 — CID 19820729

IUPACtert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12(10(14)15)11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyGRLQPJNWUUIMSC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid

tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid (PubChem CID 19820729) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid
PubChem CID19820729
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12(10(14)15)11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyGRLQPJNWUUIMSC-UHFFFAOYSA-N
XLogP2.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid (CID 19820729) is tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid is CC(C)CC(CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid?
The InChIKey is GRLQPJNWUUIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12(10(14)15)11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid?
tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid has a molecular weight of 217.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid is sourced from PubChem (CID 19820729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).