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

C13H26N2O3 — CID 126708064

IUPACtert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(10(16)14-8-12(2,3)4)15-11(17)18-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyOPFKWHQHEDUXSR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.06
Rot. Bonds3

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

tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 126708064) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
PubChem CID126708064
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(10(16)14-8-12(2,3)4)15-11(17)18-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17)
InChIKeyOPFKWHQHEDUXSR-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
CID 130290980
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-[(2S)-1-[3-[4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propylamino]butylamino]propylamino]-1-oxopropan-2-yl]carbamate
CID 11006083
tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
CID 57088208
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate (CID 126708064) is tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is OPFKWHQHEDUXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(10(16)14-8-12(2,3)4)15-11(17)18-13(5,6)7/h9H,8H2,1-7H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 126708064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).