tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate

C11H20N2O2 — CID 85303813

IUPACtert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CC#N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)9(6-7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyKNWHKVBSGNXETQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate

tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate (PubChem CID 85303813) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
PubChem CID85303813
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CC#N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)9(6-7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyKNWHKVBSGNXETQ-UHFFFAOYSA-N
XLogP2.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2S,3S,4R)-1-cyano-3,4-dihydroxyhex-5-en-2-yl]carbamate
CID 10515230
tert-butyl N-(1-chloro-2-cyanoethyl)carbamate
CID 176891627
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7019872
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-[(2S,3R,4S)-1-cyano-2-hydroxy-4-methylhexan-3-yl]carbamate
CID 10999683
tert-butyl N-[(2R)-4-cyano-3-oxobutan-2-yl]carbamate
CID 178105123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate (CID 85303813) is tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate is CC(C)C(CC#N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate?
The InChIKey is KNWHKVBSGNXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)9(6-7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate?
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 85303813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).