3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid

C9H17NO4 — CID 146503782

IUPAC3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OC(C)(CNC=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-9(4,7(12)13)5-10-6-11/h6H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyVVOFJQSHGRRZSI-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds5

About 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid

3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 146503782) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID146503782
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OC(C)(CNC=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-9(4,7(12)13)5-10-6-11/h6H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyVVOFJQSHGRRZSI-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 146503782) is 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid is CC(C)(C)OC(C)(CNC=O)C(=O)O.
What is the InChIKey of 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is VVOFJQSHGRRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2,3)14-9(4,7(12)13)5-10-6-11/h6H,5H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid?
3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 146503782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).