tert-butyl 3-amino-3-methyliminopropanoate;ethane

C10H22N2O2 — CID 142912028

IUPACtert-butyl 3-amino-3-methyliminopropanoate;ethane
SMILESC/N=C(\N)CC(=O)OC(C)(C)C.CC
InChIInChI=1S/C8H16N2O2.C2H6/c1-8(2,3)12-7(11)5-6(9)10-4;1-2/h5H2,1-4H3,(H2,9,10);1-2H3
InChIKeyLMDLFMAUAVNKFJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl 3-amino-3-methyliminopropanoate;ethane

tert-butyl 3-amino-3-methyliminopropanoate;ethane (PubChem CID 142912028) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl 3-amino-3-methyliminopropanoate;ethane.

Molecular Properties

Compound Nametert-butyl 3-amino-3-methyliminopropanoate;ethane
PubChem CID142912028
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl 3-amino-3-methyliminopropanoate;ethane
SMILESC/N=C(\N)CC(=O)OC(C)(C)C.CC
InChIInChI=1S/C8H16N2O2.C2H6/c1-8(2,3)12-7(11)5-6(9)10-4;1-2/h5H2,1-4H3,(H2,9,10);1-2H3
InChIKeyLMDLFMAUAVNKFJ-UHFFFAOYSA-N
XLogP1.73
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
tert-butyl 3-amino-3-oxopropanoate;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 161137810
tert-butyl (4Z)-4-amino-4-(aminohydrazinylidene)butanoate
CID 134372105
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
CID 89305747
CID 89305747
tert-butyl 3-oxo-3-(phosphanylamino)propanoate
CID 139519590

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-methyliminopropanoate;ethane?
The IUPAC name of tert-butyl 3-amino-3-methyliminopropanoate;ethane (CID 142912028) is tert-butyl 3-amino-3-methyliminopropanoate;ethane.
What is the SMILES notation for tert-butyl 3-amino-3-methyliminopropanoate;ethane?
The canonical SMILES for tert-butyl 3-amino-3-methyliminopropanoate;ethane is C/N=C(\N)CC(=O)OC(C)(C)C.CC.
What is the InChIKey of tert-butyl 3-amino-3-methyliminopropanoate;ethane?
The InChIKey is LMDLFMAUAVNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-8(2,3)12-7(11)5-6(9)10-4;1-2/h5H2,1-4H3,(H2,9,10);1-2H3.
What are the key properties of tert-butyl 3-amino-3-methyliminopropanoate;ethane?
tert-butyl 3-amino-3-methyliminopropanoate;ethane has a molecular weight of 202.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-methyliminopropanoate;ethane is sourced from PubChem (CID 142912028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).