methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate

C8H14N2O4 — CID 112616762

IUPACmethyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CNC(=O)C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-3-4-9-6(11)5-10-7(12)8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyZDFJVICGMBFJCU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.20
Rot. Bonds4

About methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate

methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate (PubChem CID 112616762) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
PubChem CID112616762
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CNC(=O)C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-3-4-9-6(11)5-10-7(12)8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyZDFJVICGMBFJCU-UHFFFAOYSA-N
XLogP-1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyloxalylglycine
CID 560326
Methyl 2-(2-Aminoacetamido)Acetate
CID 3248350
methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
Methyl 3-[(2-methoxy-2-oxoacetyl)amino]-2-methylpropanoate
CID 44322927
Ethyl 3-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322929
methyl (2R)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322930
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
Methyl glycylglycylglycinate
CID 273332
Ethyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 7020070

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate (CID 112616762) is methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate is CCCNC(=O)CNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The InChIKey is ZDFJVICGMBFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-4-9-6(11)5-10-7(12)8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate has a molecular weight of 202.21 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate is sourced from PubChem (CID 112616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).