tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate

C12H25NO3 — CID 153040099

IUPACtert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)C[C@@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15)/t12-/m0/s1
InChIKeyVFMXZOSZIRYSGH-LBPRGKRZSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate (PubChem CID 153040099) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
PubChem CID153040099
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)C[C@@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15)/t12-/m0/s1
InChIKeyVFMXZOSZIRYSGH-LBPRGKRZSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
CID 84726178
2-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 123923591
tert-butyl N-[1-(4-bromo-2-methylphenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 135390391
tert-butyl N-[1-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 146320127
tert-butyl N-[1-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 123323558
tert-butyl N-[(2S)-1-(4-bromo-2-formylphenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 129292450
tert-butyl N-[1-(4-bromo-2-cyanophenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 147484149
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
CID 107252599
tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
CID 130802428
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)pent-4-enoate
CID 11044337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate (CID 153040099) is tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate is CC(C)C[C@@](C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate?
The InChIKey is VFMXZOSZIRYSGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)7-12(6,8-14)13-10(15)16-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate is sourced from PubChem (CID 153040099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).