2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid

C17H20N4O4 — CID 125132186

IUPAC2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1c(CC(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccccc1
InChIInChI=1S/C17H20N4O4/c1-12-15(18-19-21(12)13-5-3-2-4-6-13)10-16(22)20-7-8-25-14(11-20)9-17(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyAXNAGSMDOSBDOS-CQSZACIVSA-N
MW344.37 g/mol
LogP0.82
Rot. Bonds5

About 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 125132186) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID125132186
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
SMILESCc1c(CC(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccccc1
InChIInChI=1S/C17H20N4O4/c1-12-15(18-19-21(12)13-5-3-2-4-6-13)10-16(22)20-7-8-25-14(11-20)9-17(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyAXNAGSMDOSBDOS-CQSZACIVSA-N
XLogP0.82
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic 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-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 125151906
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248829
2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 125135379
1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 56819557
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 97066772
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119259005
(2S,4R)-4-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 120965538

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid (CID 125132186) is 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid is Cc1c(CC(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccccc1.
What is the InChIKey of 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is AXNAGSMDOSBDOS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12-15(18-19-21(12)13-5-3-2-4-6-13)10-16(22)20-7-8-25-14(11-20)9-17(23)24/h2-6,14H,7-11H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125132186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).