2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid

C16H16N4O7 — CID 155601075

IUPAC2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
SMILESO=C(O)Cn1cc(CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)nn1
InChIInChI=1S/C16H16N4O7/c21-11-2-1-3-12(15(11)16(25)26)27-10-6-19(7-10)13(22)4-9-5-20(18-17-9)8-14(23)24/h1-3,5,10,21H,4,6-8H2,(H,23,24)(H,25,26)
InChIKeyXTWYNCDJKDHWMV-UHFFFAOYSA-N
MW376.33 g/mol
LogP-0.40
Rot. Bonds7

About 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid

2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid (PubChem CID 155601075) has the molecular formula C16H16N4O7 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
PubChem CID155601075
Molecular FormulaC16H16N4O7
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
SMILESO=C(O)Cn1cc(CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)nn1
InChIInChI=1S/C16H16N4O7/c21-11-2-1-3-12(15(11)16(25)26)27-10-6-19(7-10)13(22)4-9-5-20(18-17-9)8-14(23)24/h1-3,5,10,21H,4,6-8H2,(H,23,24)(H,25,26)
InChIKeyXTWYNCDJKDHWMV-UHFFFAOYSA-N
XLogP-0.40
TPSA155.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic 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

2-[1-[2-[4-(carboxymethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601077
6-[1-[2-[4-(carboxymethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxy-2-hydroxy-3-(2-oxoboranylethyl)benzoic acid
CID 175075676
2-hydroxy-7-[1-[2-[1-(2-oxopropyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 159221279
3-(2-boronoethyl)-2-hydroxy-6-[1-[2-[4-(methylaminomethyl)triazol-1-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 151709852
3-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 168845609
2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601083
2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 164883501
2-hydroxy-6-[1-(2-piperazin-2-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601073
2-hydroxy-6-[1-(piperidine-4-carbonyl)azetidin-3-yl]oxybenzoic acid
CID 155601035
2-[1-[(2S)-2-amino-2-(deuteriomethyl)-3-hydroxypropanoyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid
CID 155601076
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
CID 155601036

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid?
The IUPAC name of 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid (CID 155601075) is 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid.
What is the SMILES notation for 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid?
The canonical SMILES for 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid is O=C(O)Cn1cc(CC(=O)N2CC(Oc3cccc(O)c3C(=O)O)C2)nn1.
What is the InChIKey of 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid?
The InChIKey is XTWYNCDJKDHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O7/c21-11-2-1-3-12(15(11)16(25)26)27-10-6-19(7-10)13(22)4-9-5-20(18-17-9)8-14(23)24/h1-3,5,10,21H,4,6-8H2,(H,23,24)(H,25,26).
What are the key properties of 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid?
2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid has a molecular weight of 376.33 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(carboxymethyl)triazol-4-yl]acetyl]azetidin-3-yl]oxy-6-hydroxybenzoic acid is sourced from PubChem (CID 155601075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).