(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid

C21H23NO3 — CID 119364861

IUPAC(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-20(22-13-7-12-19(22)21(24)25)15-18(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,24,25)/t18?,19-/m0/s1
InChIKeyCZVMUXFFJNJINF-GGYWPGCISA-N
MW337.42 g/mol
LogP3.48
Rot. Bonds6

About (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119364861) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID119364861
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-20(22-13-7-12-19(22)21(24)25)15-18(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,24,25)/t18?,19-/m0/s1
InChIKeyCZVMUXFFJNJINF-GGYWPGCISA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
CID 155965010
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
(2S)-1-[4-(1,3-diphenylpropan-2-ylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 97302032
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid (CID 119364861) is (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CZVMUXFFJNJINF-GGYWPGCISA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(22-13-7-12-19(22)21(24)25)15-18(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,24,25)/t18?,19-/m0/s1.
What are the key properties of (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119364861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).