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

C18H22N4O4 — CID 125151906

IUPAC2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(-n2nnc(CC(=O)N3CCO[C@H](CC(=O)O)C3)c2C)cc1
InChIInChI=1S/C18H22N4O4/c1-12-3-5-14(6-4-12)22-13(2)16(19-20-22)10-17(23)21-7-8-26-15(11-21)9-18(24)25/h3-6,15H,7-11H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyLYJBMVWABYZNFX-OAHLLOKOSA-N
MW358.40 g/mol
LogP1.13
Rot. Bonds5

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

2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid (PubChem CID 125151906) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
PubChem CID125151906
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(-n2nnc(CC(=O)N3CCO[C@H](CC(=O)O)C3)c2C)cc1
InChIInChI=1S/C18H22N4O4/c1-12-3-5-14(6-4-12)22-13(2)16(19-20-22)10-17(23)21-7-8-26-15(11-21)9-18(24)25/h3-6,15H,7-11H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyLYJBMVWABYZNFX-OAHLLOKOSA-N
XLogP1.13
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
2-[4-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248829
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211323
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid (CID 125151906) is 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid is Cc1ccc(-n2nnc(CC(=O)N3CCO[C@H](CC(=O)O)C3)c2C)cc1.
What is the InChIKey of 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is LYJBMVWABYZNFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-3-5-14(6-4-12)22-13(2)16(19-20-22)10-17(23)21-7-8-26-15(11-21)9-18(24)25/h3-6,15H,7-11H2,1-2H3,(H,24,25)/t15-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 358.40 g/mol, XLogP of 1.13, 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-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125151906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).