tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate

C12H25NO2 — CID 174039144

IUPACtert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)9(3)10(4)13-11(14)15-12(5,6)7/h8-10H,1-7H3,(H,13,14)/t9-,10+/m0/s1
InChIKeySMDRZCHKKCEEAB-VHSXEESVSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate

tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate (PubChem CID 174039144) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
PubChem CID174039144
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)9(3)10(4)13-11(14)15-12(5,6)7/h8-10H,1-7H3,(H,13,14)/t9-,10+/m0/s1
InChIKeySMDRZCHKKCEEAB-VHSXEESVSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71435357
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
CID 19880117
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 89219629
methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 76779344
tert-butyl N-[(2S)-1-bromo-1-methoxypropan-2-yl]carbamate
CID 175914357
tert-butyl N-[(2R)-1-chloro-1-nitrosopropan-2-yl]carbamate
CID 91562701

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate (CID 174039144) is tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate is CC(C)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate?
The InChIKey is SMDRZCHKKCEEAB-VHSXEESVSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)9(3)10(4)13-11(14)15-12(5,6)7/h8-10H,1-7H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate?
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate is sourced from PubChem (CID 174039144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).