tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate

C12H23NO3 — CID 72641150

IUPACtert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(9(14)11(2,3)4)13-10(15)16-12(5,6)7/h8H,1-7H3,(H,13,15)
InChIKeyTYCRETDNDCTIRZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate

tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate (PubChem CID 72641150) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
PubChem CID72641150
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(9(14)11(2,3)4)13-10(15)16-12(5,6)7/h8H,1-7H3,(H,13,15)
InChIKeyTYCRETDNDCTIRZ-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-(3-oxopent-4-yn-2-yl)carbamate
CID 85365205
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
tert-butyl N-(3-bromobut-3-en-2-yl)carbamate
CID 166659302
tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
CID 164707019
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 112704269
tert-butyl N-[(2R)-4-bromo-3-oxobutan-2-yl]carbamate
CID 146049642
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate (CID 72641150) is tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate is CC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate?
The InChIKey is TYCRETDNDCTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(9(14)11(2,3)4)13-10(15)16-12(5,6)7/h8H,1-7H3,(H,13,15).
What are the key properties of tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate?
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate is sourced from PubChem (CID 72641150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).