2-acetamido-3-methoxypropanoic acid

C6H11NO4 — CID 18918048

IUPAC2-acetamido-3-methoxypropanoic acid
SMILESCOCC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeySDNGNSKFWTZCJG-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.78
Rot. Bonds4

About 2-acetamido-3-methoxypropanoic acid

2-acetamido-3-methoxypropanoic acid (PubChem CID 18918048) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-acetamido-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-acetamido-3-methoxypropanoic acid
PubChem CID18918048
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-acetamido-3-methoxypropanoic acid
SMILESCOCC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeySDNGNSKFWTZCJG-UHFFFAOYSA-N
XLogP-0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methoxypropanoic acid?
The IUPAC name of 2-acetamido-3-methoxypropanoic acid (CID 18918048) is 2-acetamido-3-methoxypropanoic acid.
What is the SMILES notation for 2-acetamido-3-methoxypropanoic acid?
The canonical SMILES for 2-acetamido-3-methoxypropanoic acid is COCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-methoxypropanoic acid?
The InChIKey is SDNGNSKFWTZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-acetamido-3-methoxypropanoic acid?
2-acetamido-3-methoxypropanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methoxypropanoic acid is sourced from PubChem (CID 18918048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).