3-acetamido-4-(hydroxymethyl)benzoic acid

C10H11NO4 — CID 167726938

IUPAC3-acetamido-4-(hydroxymethyl)benzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)ccc1CO
InChIInChI=1S/C10H11NO4/c1-6(13)11-9-4-7(10(14)15)2-3-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyVPUPLIAXXFAHEN-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.84
Rot. Bonds3

About 3-acetamido-4-(hydroxymethyl)benzoic acid

3-acetamido-4-(hydroxymethyl)benzoic acid (PubChem CID 167726938) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-acetamido-4-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name3-acetamido-4-(hydroxymethyl)benzoic acid
PubChem CID167726938
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-acetamido-4-(hydroxymethyl)benzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)ccc1CO
InChIInChI=1S/C10H11NO4/c1-6(13)11-9-4-7(10(14)15)2-3-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyVPUPLIAXXFAHEN-UHFFFAOYSA-N
XLogP0.84
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diacetamidobenzoic acid
CID 2735923
4-(hydroxymethyl)-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167734701
4-acetamido-3-(aminomethyl)benzoic acid
CID 19359198
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
3-acetamido-4-fluorosulfonylbenzoic acid
CID 167739166
N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide
CID 139679974
4-acetamido-3-cyclopropylbenzoic acid
CID 167726350
[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid
CID 146422384
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
3-acetamido-4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]benzoic acid
CID 101353039
3,4-bis(fluoromethyl)benzoic acid
CID 67445489
4-(fluoromethyl)-3-methylbenzoic acid
CID 91883690

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-(hydroxymethyl)benzoic acid?
The IUPAC name of 3-acetamido-4-(hydroxymethyl)benzoic acid (CID 167726938) is 3-acetamido-4-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 3-acetamido-4-(hydroxymethyl)benzoic acid?
The canonical SMILES for 3-acetamido-4-(hydroxymethyl)benzoic acid is CC(=O)Nc1cc(C(=O)O)ccc1CO.
What is the InChIKey of 3-acetamido-4-(hydroxymethyl)benzoic acid?
The InChIKey is VPUPLIAXXFAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(13)11-9-4-7(10(14)15)2-3-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-acetamido-4-(hydroxymethyl)benzoic acid?
3-acetamido-4-(hydroxymethyl)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 167726938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).