4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid

C10H11NO5 — CID 90919313

IUPAC4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid
SMILESCc1c(NCC(=O)O)ccc(C(=O)O)c1O
InChIInChI=1S/C10H11NO5/c1-5-7(11-4-8(12)13)3-2-6(9(5)14)10(15)16/h2-3,11,14H,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyGZHLHJUIZJNJIC-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.90
Rot. Bonds4

About 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid

4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid (PubChem CID 90919313) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid
PubChem CID90919313
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid
SMILESCc1c(NCC(=O)O)ccc(C(=O)O)c1O
InChIInChI=1S/C10H11NO5/c1-5-7(11-4-8(12)13)3-2-6(9(5)14)10(15)16/h2-3,11,14H,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyGZHLHJUIZJNJIC-UHFFFAOYSA-N
XLogP0.90
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic 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

4-Acetamidosalicylic acid
CID 65509
Methyl 4-acetamidosalicylate
CID 77719
4-(Benzoylamino)-2-hydroxybenzoic acid
CID 10718
Hydroxytetracaine
CID 71630
4-(Dimethylamino)salicylic acid
CID 89978
4-[(5-Fluoro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid
CID 141230691
4-(Dimethylamino)-2-hydroxy-5-[2-[3-(oxaloamino)phenyl]ethynyl]benzoic acid
CID 156010242
2-[4-[2-[2-(Dimethylamino)-4-hydroxy-5-methoxycarbonyl-phenyl]ethynyl]anilino]-2-oxo-acetic acid
CID 156010456
4-(Dimethylamino)-2-hydroxy-5-[2-[4-(oxaloamino)phenyl]ethynyl]benzoic acid
CID 156011650
4-((5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino)-2-hydroxybenzoic acid
CID 936432
4-(Diethylamino)-2-hydroxybenzoic acid
CID 89977
2-Hydroxy-4-((2-iodoacetyl)amino)benzoic acid
CID 78017

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid (CID 90919313) is 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid is Cc1c(NCC(=O)O)ccc(C(=O)O)c1O.
What is the InChIKey of 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid?
The InChIKey is GZHLHJUIZJNJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5-7(11-4-8(12)13)3-2-6(9(5)14)10(15)16/h2-3,11,14H,4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid?
4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 90919313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).