tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate

C10H20N2O3 — CID 64687542

IUPACtert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
SMILESCNC(=O)CNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(12-6-8(13)11-5)9(14)15-10(2,3)4/h7,12H,6H2,1-5H3,(H,11,13)
InChIKeySSBZGIPFJWDPGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds4

About tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate

tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate (PubChem CID 64687542) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
PubChem CID64687542
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
SMILESCNC(=O)CNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(12-6-8(13)11-5)9(14)15-10(2,3)4/h7,12H,6H2,1-5H3,(H,11,13)
InChIKeySSBZGIPFJWDPGE-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate 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 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
tert-butyl 2-(methoxyamino)propanoate
CID 64688772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate (CID 64687542) is tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate is CNC(=O)CNC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is SSBZGIPFJWDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(12-6-8(13)11-5)9(14)15-10(2,3)4/h7,12H,6H2,1-5H3,(H,11,13).
What are the key properties of tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate?
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 64687542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).