tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine

C13H30N4O3 — CID 21308808

IUPACtert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine
SMILESCNCCN(C)C.C[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3.C5H14N2/c1-5(6(9)11)10-7(12)13-8(2,3)4;1-6-4-5-7(2)3/h5H,1-4H3,(H2,9,11)(H,10,12);6H,4-5H2,1-3H3/t5-;/m0./s1
InChIKeyRUNUAAIDFSXWCH-JEDNCBNOSA-N
MW290.41 g/mol
LogP0.15
Rot. Bonds5

About tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine

tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 21308808) has the molecular formula C13H30N4O3 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine
PubChem CID21308808
Molecular FormulaC13H30N4O3
Molecular Weight290.41 g/mol
Exact Mass290.23
IUPAC Nametert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine
SMILESCNCCN(C)C.C[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3.C5H14N2/c1-5(6(9)11)10-7(12)13-8(2,3)4;1-6-4-5-7(2)3/h5H,1-4H3,(H2,9,11)(H,10,12);6H,4-5H2,1-3H3/t5-;/m0./s1
InChIKeyRUNUAAIDFSXWCH-JEDNCBNOSA-N
XLogP0.15
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7410696
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
tert-butyl 4-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87440029
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
tert-butyl N-[(2R)-3-(1-aminoethenylsulfanyl)but-3-en-2-yl]carbamate
CID 134600236
tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 95174235
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine (CID 21308808) is tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine is CNCCN(C)C.C[C@H](NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is RUNUAAIDFSXWCH-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H16N2O3.C5H14N2/c1-5(6(9)11)10-7(12)13-8(2,3)4;1-6-4-5-7(2)3/h5H,1-4H3,(H2,9,11)(H,10,12);6H,4-5H2,1-3H3/t5-;/m0./s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine?
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 21308808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).