4-benzamido-3-hydroxybutanoic acid

C11H13NO4 — CID 2793948

IUPAC4-benzamido-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H13NO4/c13-9(6-10(14)15)7-12-11(16)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
InChIKeySHNANTBQDCWKCB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds5

About 4-benzamido-3-hydroxybutanoic acid

4-benzamido-3-hydroxybutanoic acid (PubChem CID 2793948) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-benzamido-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-benzamido-3-hydroxybutanoic acid
PubChem CID2793948
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-benzamido-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H13NO4/c13-9(6-10(14)15)7-12-11(16)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
InChIKeySHNANTBQDCWKCB-UHFFFAOYSA-N
XLogP0.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-3-hydroxybutanoic acid?
The IUPAC name of 4-benzamido-3-hydroxybutanoic acid (CID 2793948) is 4-benzamido-3-hydroxybutanoic acid.
What is the SMILES notation for 4-benzamido-3-hydroxybutanoic acid?
The canonical SMILES for 4-benzamido-3-hydroxybutanoic acid is O=C(O)CC(O)CNC(=O)c1ccccc1.
What is the InChIKey of 4-benzamido-3-hydroxybutanoic acid?
The InChIKey is SHNANTBQDCWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9(6-10(14)15)7-12-11(16)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 4-benzamido-3-hydroxybutanoic acid?
4-benzamido-3-hydroxybutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-3-hydroxybutanoic acid is sourced from PubChem (CID 2793948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).