2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid

C16H17N3O4 — CID 124705020

IUPAC2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-14-11-18(7-8-23-14)16(22)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyRSHRXZRKZCRSOP-CQSZACIVSA-N
MW315.33 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 124705020) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID124705020
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-14-11-18(7-8-23-14)16(22)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyRSHRXZRKZCRSOP-CQSZACIVSA-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-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125120159
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126454332
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid (CID 124705020) is 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1.
What is the InChIKey of 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is RSHRXZRKZCRSOP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(21)10-14-11-18(7-8-23-14)16(22)12-3-1-4-13(9-12)19-6-2-5-17-19/h1-6,9,14H,7-8,10-11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(3-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-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).