tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate

C9H19N3O3 — CID 134487192

IUPACtert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
SMILESCNCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)11-5-7(13)12-6-10-4/h10H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyWPECDSSGGRYZSC-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.20
Rot. Bonds4

About tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate (PubChem CID 134487192) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
PubChem CID134487192
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Nametert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
SMILESCNCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)11-5-7(13)12-6-10-4/h10H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyWPECDSSGGRYZSC-UHFFFAOYSA-N
XLogP-0.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
tert-butyl N-[2-(but-3-ynylamino)-2-oxoethyl]carbamate
CID 56765722
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337
tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoate
CID 154932329
S-[1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propan-2-yl] ethanethioate
CID 21268892
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate (CID 134487192) is tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate is CNCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate?
The InChIKey is WPECDSSGGRYZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)11-5-7(13)12-6-10-4/h10H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate has a molecular weight of 217.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 134487192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).