methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate

C8H14N2O4 — CID 112616986

IUPACmethyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C8H14N2O4/c1-5(2)10(4-6(9)11)7(12)8(13)14-3/h5H,4H2,1-3H3,(H2,9,11)
InChIKeyUDSSJVCWLASAFX-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.12
Rot. Bonds3

About methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate

methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate (PubChem CID 112616986) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
PubChem CID112616986
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C8H14N2O4/c1-5(2)10(4-6(9)11)7(12)8(13)14-3/h5H,4H2,1-3H3,(H2,9,11)
InChIKeyUDSSJVCWLASAFX-UHFFFAOYSA-N
XLogP-1.12
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
methyl (2R)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322930
Alanylglycylglycine methyl ester
CID 129807724
Methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate
CID 75038042
N-Acetylalanylglycine methyl ester
CID 129824928
N-Acetyl-glycyl-glycyl-alanine methyl ester
CID 134741415
Methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
Methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate
CID 15010019
Methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
Methyl 2-[2-[bis[2-[(2-methoxy-2-oxoacetyl)amino]ethyl]amino]ethylamino]-2-oxoacetate
CID 20732801
H-Gly-Ala-Gly-OMe
CID 54222962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate (CID 112616986) is methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate is COC(=O)C(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate?
The InChIKey is UDSSJVCWLASAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(2)10(4-6(9)11)7(12)8(13)14-3/h5H,4H2,1-3H3,(H2,9,11).
What are the key properties of methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate?
methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate has a molecular weight of 202.21 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate is sourced from PubChem (CID 112616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).