(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid

C19H23N3O3 — CID 70757023

IUPAC(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCCc1nccn1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-2-17-20-9-11-21(17)10-8-18(23)22-12-15(16(13-22)19(24)25)14-6-4-3-5-7-14/h3-7,9,11,15-16H,2,8,10,12-13H2,1H3,(H,24,25)/t15-,16+/m0/s1
InChIKeyJZYRSQPPNKDZAN-JKSUJKDBSA-N
MW341.41 g/mol
LogP2.16
Rot. Bonds6

About (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid

(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 70757023) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID70757023
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCCc1nccn1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-2-17-20-9-11-21(17)10-8-18(23)22-12-15(16(13-22)19(24)25)14-6-4-3-5-7-14/h3-7,9,11,15-16H,2,8,10,12-13H2,1H3,(H,24,25)/t15-,16+/m0/s1
InChIKeyJZYRSQPPNKDZAN-JKSUJKDBSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70786394
(3S,4R)-4-phenyl-1-[2-(2-phenylimidazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70762017
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
CID 124954504
(3R,4S)-1-(3-methylsulfanylpropanoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133129117
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70749566
(3S,4S)-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 167966048
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 95203716

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid (CID 70757023) is (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid is CCc1nccn1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is JZYRSQPPNKDZAN-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-17-20-9-11-21(17)10-8-18(23)22-12-15(16(13-22)19(24)25)14-6-4-3-5-7-14/h3-7,9,11,15-16H,2,8,10,12-13H2,1H3,(H,24,25)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid?
(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70757023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).