(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C16H17N3O3 — CID 124695532

IUPAC(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCN(C(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-16(15(21)22)7-8-18(10-16)14(20)13-9-17-11-19(13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWTDQTSGRSVLCRH-INIZCTEOSA-N
MW299.33 g/mol
LogP1.81
Rot. Bonds3

About (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124695532) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124695532
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CCN(C(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-16(15(21)22)7-8-18(10-16)14(20)13-9-17-11-19(13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWTDQTSGRSVLCRH-INIZCTEOSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125133768
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
3-methyl-1-[3-(4-phenyl-1,2,4-triazol-3-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256236
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 124695532) is (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid is C[C@]1(C(=O)O)CCN(C(=O)c2cncn2-c2ccccc2)C1.
What is the InChIKey of (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WTDQTSGRSVLCRH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(15(21)22)7-8-18(10-16)14(20)13-9-17-11-19(13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124695532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).