(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid

C18H17NO3 — CID 124703559

IUPAC(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO3/c20-17(19-11-10-16(12-19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeySEWDDZYIVTWGRH-INIZCTEOSA-N
MW295.34 g/mol
LogP2.90
Rot. Bonds3

About (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid

(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 124703559) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID124703559
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO3/c20-17(19-11-10-16(12-19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeySEWDDZYIVTWGRH-INIZCTEOSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63030571
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
(3R)-1-(4-ethylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134918
1-(4-propan-2-ylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119355321
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid (CID 124703559) is (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SEWDDZYIVTWGRH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(19-11-10-16(12-19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124703559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).