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

C12H22N2O3 — CID 57088208

IUPACtert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
SMILESC=C(C)CNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)7-13-10(15)9(3)14-11(16)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)(H,14,16)
InChIKeyAHHYANDDRZKFFS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.59
Rot. Bonds4

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

tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 57088208) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
PubChem CID57088208
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
SMILESC=C(C)CNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)7-13-10(15)9(3)14-11(16)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)(H,14,16)
InChIKeyAHHYANDDRZKFFS-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 57313950
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
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
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 22025867
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
2-[2-[[(2S)-2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]oxyethyl 2-methylprop-2-enoate
CID 101251806
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-[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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate (CID 57088208) is tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate is C=C(C)CNC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is AHHYANDDRZKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-13-10(15)9(3)14-11(16)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.59, 4 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-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 57088208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).