3-benzamido-2-methylpropanoic acid

C11H13NO3 — CID 3016421

IUPAC3-benzamido-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)7-12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCCEBPEVKSYSXIR-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.14
Rot. Bonds4

About 3-benzamido-2-methylpropanoic acid

3-benzamido-2-methylpropanoic acid (PubChem CID 3016421) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-benzamido-2-methylpropanoic acid.

Molecular Properties

Compound Name3-benzamido-2-methylpropanoic acid
PubChem CID3016421
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-benzamido-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)7-12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCCEBPEVKSYSXIR-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2-methylpropanoic acid?
The IUPAC name of 3-benzamido-2-methylpropanoic acid (CID 3016421) is 3-benzamido-2-methylpropanoic acid.
What is the SMILES notation for 3-benzamido-2-methylpropanoic acid?
The canonical SMILES for 3-benzamido-2-methylpropanoic acid is CC(CNC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-benzamido-2-methylpropanoic acid?
The InChIKey is CCEBPEVKSYSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15)7-12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-benzamido-2-methylpropanoic acid?
3-benzamido-2-methylpropanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2-methylpropanoic acid is sourced from PubChem (CID 3016421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).