2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid

C15H16N4O4 — CID 129469902

IUPAC2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O4/c20-13(21)8-12-9-23-7-6-18(12)15(22)14-16-10-19(17-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21)/t12-/m1/s1
InChIKeyNMWLGYGWZZUHAA-GFCCVEGCSA-N
MW316.32 g/mol
LogP0.58
Rot. Bonds4

About 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid

2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 129469902) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
PubChem CID129469902
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O4/c20-13(21)8-12-9-23-7-6-18(12)15(22)14-16-10-19(17-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21)/t12-/m1/s1
InChIKeyNMWLGYGWZZUHAA-GFCCVEGCSA-N
XLogP0.58
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid (CID 129469902) is 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is NMWLGYGWZZUHAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-13(21)8-12-9-23-7-6-18(12)15(22)14-16-10-19(17-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid?
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 316.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).