2-acetamido-3-methoxy-2-methylpropanoic acid

C7H13NO4 — CID 63704769

IUPAC2-acetamido-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(9)8-7(2,4-12-3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)
InChIKeyOKZIMFCBXGDJGA-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.39
Rot. Bonds4

About 2-acetamido-3-methoxy-2-methylpropanoic acid

2-acetamido-3-methoxy-2-methylpropanoic acid (PubChem CID 63704769) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-acetamido-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-acetamido-3-methoxy-2-methylpropanoic acid
PubChem CID63704769
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-acetamido-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(9)8-7(2,4-12-3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)
InChIKeyOKZIMFCBXGDJGA-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-acetamido-3-methoxy-2-methylpropanoic acid (CID 63704769) is 2-acetamido-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-acetamido-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-acetamido-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-methoxy-2-methylpropanoic acid?
The InChIKey is OKZIMFCBXGDJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(9)8-7(2,4-12-3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-acetamido-3-methoxy-2-methylpropanoic acid?
2-acetamido-3-methoxy-2-methylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 63704769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).