(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid

C16H20N2O4 — CID 125148963

IUPAC(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H20N2O4/c19-15(18-6-5-12(11-18)16(20)21)13-3-1-2-4-14(13)17-7-9-22-10-8-17/h1-4,12H,5-11H2,(H,20,21)/t12-/m1/s1
InChIKeyPUCJBWNFZSFSBB-GFCCVEGCSA-N
MW304.35 g/mol
LogP1.07
Rot. Bonds3

About (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 125148963) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID125148963
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H20N2O4/c19-15(18-6-5-12(11-18)16(20)21)13-3-1-2-4-14(13)17-7-9-22-10-8-17/h1-4,12H,5-11H2,(H,20,21)/t12-/m1/s1
InChIKeyPUCJBWNFZSFSBB-GFCCVEGCSA-N
XLogP1.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
1-(2-morpholin-4-yl-3-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 120533899
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid (CID 125148963) is (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1.
What is the InChIKey of (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PUCJBWNFZSFSBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(18-6-5-12(11-18)16(20)21)13-3-1-2-4-14(13)17-7-9-22-10-8-17/h1-4,12H,5-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125148963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).