(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid

C15H15FN4O4 — CID 125152895

IUPAC(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O4/c1-9-13(14(21)19-6-7-24-8-12(19)15(22)23)17-18-20(9)11-4-2-10(16)3-5-11/h2-5,12H,6-8H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyRBDZEQVYVUNCDC-GFCCVEGCSA-N
MW334.31 g/mol
LogP0.64
Rot. Bonds3

About (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125152895) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID125152895
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O4/c1-9-13(14(21)19-6-7-24-8-12(19)15(22)23)17-18-20(9)11-4-2-10(16)3-5-11/h2-5,12H,6-8H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyRBDZEQVYVUNCDC-GFCCVEGCSA-N
XLogP0.64
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid (CID 125152895) is (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid is Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)nnn1-c1ccc(F)cc1.
What is the InChIKey of (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is RBDZEQVYVUNCDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN4O4/c1-9-13(14(21)19-6-7-24-8-12(19)15(22)23)17-18-20(9)11-4-2-10(16)3-5-11/h2-5,12H,6-8H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 334.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).