methyl 2-(propanoylamino)acetate

C6H11NO3 — CID 533879

IUPACmethyl 2-(propanoylamino)acetate
SMILESCCC(=O)NCC(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-5(8)7-4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyQZXTYJDHWPMJLY-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About methyl 2-(propanoylamino)acetate

methyl 2-(propanoylamino)acetate (PubChem CID 533879) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-(propanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(propanoylamino)acetate
PubChem CID533879
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 2-(propanoylamino)acetate
SMILESCCC(=O)NCC(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-5(8)7-4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyQZXTYJDHWPMJLY-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propanoylamino)acetate?
The IUPAC name of methyl 2-(propanoylamino)acetate (CID 533879) is methyl 2-(propanoylamino)acetate.
What is the SMILES notation for methyl 2-(propanoylamino)acetate?
The canonical SMILES for methyl 2-(propanoylamino)acetate is CCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(propanoylamino)acetate?
The InChIKey is QZXTYJDHWPMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(8)7-4-6(9)10-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-(propanoylamino)acetate?
methyl 2-(propanoylamino)acetate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propanoylamino)acetate is sourced from PubChem (CID 533879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).