2-benzamido-2-methylbutanoic acid

C12H15NO3 — CID 11836764

IUPAC2-benzamido-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3/c1-3-12(2,11(15)16)13-10(14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDAPVRBBDZOYSBG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.67
Rot. Bonds4

About 2-benzamido-2-methylbutanoic acid

2-benzamido-2-methylbutanoic acid (PubChem CID 11836764) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-benzamido-2-methylbutanoic acid.

Molecular Properties

Compound Name2-benzamido-2-methylbutanoic acid
PubChem CID11836764
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-benzamido-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3/c1-3-12(2,11(15)16)13-10(14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDAPVRBBDZOYSBG-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-methylbutanoic acid?
The IUPAC name of 2-benzamido-2-methylbutanoic acid (CID 11836764) is 2-benzamido-2-methylbutanoic acid.
What is the SMILES notation for 2-benzamido-2-methylbutanoic acid?
The canonical SMILES for 2-benzamido-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-benzamido-2-methylbutanoic acid?
The InChIKey is DAPVRBBDZOYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-12(2,11(15)16)13-10(14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-benzamido-2-methylbutanoic acid?
2-benzamido-2-methylbutanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-methylbutanoic acid is sourced from PubChem (CID 11836764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).