(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid

C21H20N4O4 — CID 125152338

IUPAC(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O4/c1-14-19(20(26)24-11-12-29-13-18(24)21(27)28)22-23-25(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyOCGRLOQDODVFGW-GOSISDBHSA-N
MW392.42 g/mol
LogP2.17
Rot. Bonds4

About (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125152338) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID125152338
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N4O4/c1-14-19(20(26)24-11-12-29-13-18(24)21(27)28)22-23-25(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyOCGRLOQDODVFGW-GOSISDBHSA-N
XLogP2.17
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216974
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 120569446
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788583
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 124691205
4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 119216827

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid (CID 125152338) is (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid is Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is OCGRLOQDODVFGW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-19(20(26)24-11-12-29-13-18(24)21(27)28)22-23-25(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 392.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).