2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid

C16H17N3O4 — CID 124704985

IUPAC2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-12-11-18(8-9-23-12)16(22)13-4-1-2-5-14(13)19-7-3-6-17-19/h1-7,12H,8-11H2,(H,20,21)/t12-/m1/s1
InChIKeyWRLINHMANWTOLC-GFCCVEGCSA-N
MW315.33 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 124704985) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID124704985
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-12-11-18(8-9-23-12)16(22)13-4-1-2-5-14(13)19-7-3-6-17-19/h1-7,12H,8-11H2,(H,20,21)/t12-/m1/s1
InChIKeyWRLINHMANWTOLC-GFCCVEGCSA-N
XLogP1.19
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-pyrazol-1-ylpyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527660
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 119247831
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid (CID 124704985) is 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1.
What is the InChIKey of 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is WRLINHMANWTOLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(21)10-12-11-18(8-9-23-12)16(22)13-4-1-2-5-14(13)19-7-3-6-17-19/h1-7,12H,8-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124704985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).