2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid

C16H17FN4O4 — CID 125152905

IUPAC2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O4/c1-10-15(18-19-21(10)12-4-2-11(17)3-5-12)16(24)20-6-7-25-13(9-20)8-14(22)23/h2-5,13H,6-9H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyRBXFWYOWOKCYMY-CYBMUJFWSA-N
MW348.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125152905) has the molecular formula C16H17FN4O4 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125152905
Molecular FormulaC16H17FN4O4
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O4/c1-10-15(18-19-21(10)12-4-2-11(17)3-5-12)16(24)20-6-7-25-13(9-20)8-14(22)23/h2-5,13H,6-9H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyRBXFWYOWOKCYMY-CYBMUJFWSA-N
XLogP1.03
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 125152905) is 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid is Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is RBXFWYOWOKCYMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17FN4O4/c1-10-15(18-19-21(10)12-4-2-11(17)3-5-12)16(24)20-6-7-25-13(9-20)8-14(22)23/h2-5,13H,6-9H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 348.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125152905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).