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

2-hydrazinyl-2-oxo-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 43567602
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
CID 118608572
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
2-oxo-N-propylpropanamide
CID 13291521
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332

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).