methyl 3-acetamidopropanoate

C6H11NO3 — CID 12859671

IUPACmethyl 3-acetamidopropanoate
SMILESCOC(=O)CCNC(C)=O
InChIInChI=1S/C6H11NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyFDIFXCFYMLCGNA-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About methyl 3-acetamidopropanoate

methyl 3-acetamidopropanoate (PubChem CID 12859671) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-acetamidopropanoate.

Molecular Properties

Compound Namemethyl 3-acetamidopropanoate
PubChem CID12859671
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-acetamidopropanoate
SMILESCOC(=O)CCNC(C)=O
InChIInChI=1S/C6H11NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyFDIFXCFYMLCGNA-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 3-acetamidopropanoate?
The IUPAC name of methyl 3-acetamidopropanoate (CID 12859671) is methyl 3-acetamidopropanoate.
What is the SMILES notation for methyl 3-acetamidopropanoate?
The canonical SMILES for methyl 3-acetamidopropanoate is COC(=O)CCNC(C)=O.
What is the InChIKey of methyl 3-acetamidopropanoate?
The InChIKey is FDIFXCFYMLCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl 3-acetamidopropanoate?
methyl 3-acetamidopropanoate 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 3-acetamidopropanoate is sourced from PubChem (CID 12859671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).