4-(acetamidomethyl)-2-methoxybenzoic acid

C11H13NO4 — CID 131252000

IUPAC4-(acetamidomethyl)-2-methoxybenzoic acid
SMILESCOc1cc(CNC(C)=O)ccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(13)12-6-8-3-4-9(11(14)15)10(5-8)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLWLDDGLXRUUXQZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.03
Rot. Bonds4

About 4-(acetamidomethyl)-2-methoxybenzoic acid

4-(acetamidomethyl)-2-methoxybenzoic acid (PubChem CID 131252000) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(acetamidomethyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(acetamidomethyl)-2-methoxybenzoic acid
PubChem CID131252000
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(acetamidomethyl)-2-methoxybenzoic acid
SMILESCOc1cc(CNC(C)=O)ccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(13)12-6-8-3-4-9(11(14)15)10(5-8)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLWLDDGLXRUUXQZ-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
CID 154805734
4-ethyl-2-methoxybenzoic acid
CID 18687349
4-[[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 129414926
2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]benzoic acid
CID 141159434
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
4-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-2-methoxybenzoic acid
CID 124688534
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688195
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
4-[[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688125
4-[2-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]ethyl]-2-methoxybenzoic acid
CID 171715332

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(acetamidomethyl)-2-methoxybenzoic acid (CID 131252000) is 4-(acetamidomethyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(acetamidomethyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(acetamidomethyl)-2-methoxybenzoic acid is COc1cc(CNC(C)=O)ccc1C(=O)O.
What is the InChIKey of 4-(acetamidomethyl)-2-methoxybenzoic acid?
The InChIKey is LWLDDGLXRUUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)12-6-8-3-4-9(11(14)15)10(5-8)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(acetamidomethyl)-2-methoxybenzoic acid?
4-(acetamidomethyl)-2-methoxybenzoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-2-methoxybenzoic acid is sourced from PubChem (CID 131252000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).