4-(acetamidomethyl)benzoic acid

C10H11NO3 — CID 506064

IUPAC4-(acetamidomethyl)benzoic acid
SMILESCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDSEUUJNFENYHDY-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.02
Rot. Bonds3

About 4-(acetamidomethyl)benzoic acid

4-(acetamidomethyl)benzoic acid (PubChem CID 506064) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(acetamidomethyl)benzoic acid.

Molecular Properties

Compound Name4-(acetamidomethyl)benzoic acid
PubChem CID506064
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(acetamidomethyl)benzoic acid
SMILESCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDSEUUJNFENYHDY-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)benzoic acid?
The IUPAC name of 4-(acetamidomethyl)benzoic acid (CID 506064) is 4-(acetamidomethyl)benzoic acid.
What is the SMILES notation for 4-(acetamidomethyl)benzoic acid?
The canonical SMILES for 4-(acetamidomethyl)benzoic acid is CC(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(acetamidomethyl)benzoic acid?
The InChIKey is DSEUUJNFENYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(acetamidomethyl)benzoic acid?
4-(acetamidomethyl)benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)benzoic acid is sourced from PubChem (CID 506064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).