tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate

C11H20N2O4 — CID 57313950

IUPACtert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
SMILESCC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-7(14)6-12-9(15)8(2)13-10(16)17-11(3,4)5/h8H,6H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyDEWBJXPANXZOND-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.60
Rot. Bonds4

About tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate

tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate (PubChem CID 57313950) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
PubChem CID57313950
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
SMILESCC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-7(14)6-12-9(15)8(2)13-10(16)17-11(3,4)5/h8H,6H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyDEWBJXPANXZOND-UHFFFAOYSA-N
XLogP0.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
CID 57088208
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
tert-butyl N-[1-oxo-1-(2,3,3-trimethylbutylamino)propan-2-yl]carbamate
CID 78966459
tert-butyl N-[1-(2,2-difluoroethylamino)-1-oxopropan-2-yl]carbamate
CID 130290980
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate (CID 57313950) is tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate is CC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The InChIKey is DEWBJXPANXZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)6-12-9(15)8(2)13-10(16)17-11(3,4)5/h8H,6H2,1-5H3,(H,12,15)(H,13,16).
What are the key properties of tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate is sourced from PubChem (CID 57313950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).