tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate

C12H24N2O3 — CID 47152929

IUPACtert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(9(15)14-11(2,3)4)13-10(16)17-12(5,6)7/h8H,1-7H3,(H,13,16)(H,14,15)
InChIKeyYFJVSEQFUIKLML-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.81
Rot. Bonds2

About tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 47152929) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
PubChem CID47152929
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(9(15)14-11(2,3)4)13-10(16)17-12(5,6)7/h8H,1-7H3,(H,13,16)(H,14,15)
InChIKeyYFJVSEQFUIKLML-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
methyl (3R)-4,4,4-trifluoro-3-methyl-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoate
CID 164680146

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate (CID 47152929) is tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is YFJVSEQFUIKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(9(15)14-11(2,3)4)13-10(16)17-12(5,6)7/h8H,1-7H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 47152929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).