3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid

C13H17NO6 — CID 170830664

IUPAC3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C13H17NO6/c1-7(15)14-6-10(16)11(17)8-4-3-5-9(13(18)19)12(8)20-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyLXYVFQQWFKERPK-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.08
Rot. Bonds6

About 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid

3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid (PubChem CID 170830664) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid
PubChem CID170830664
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C13H17NO6/c1-7(15)14-6-10(16)11(17)8-4-3-5-9(13(18)19)12(8)20-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyLXYVFQQWFKERPK-UHFFFAOYSA-N
XLogP-0.08
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
methyl 3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoate
CID 170830610
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
3-(2-cyano-1,2-dihydroxyethyl)-2-methoxybenzoic acid
CID 171870836
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830619
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid?
The IUPAC name of 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid (CID 170830664) is 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid.
What is the SMILES notation for 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid?
The canonical SMILES for 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid is COc1c(C(=O)O)cccc1C(O)C(O)CNC(C)=O.
What is the InChIKey of 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid?
The InChIKey is LXYVFQQWFKERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-7(15)14-6-10(16)11(17)8-4-3-5-9(13(18)19)12(8)20-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid?
3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid is sourced from PubChem (CID 170830664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).