(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid

C18H19N3O3 — CID 126445524

IUPAC(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1cnccn1)N1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C18H19N3O3/c22-16(7-6-15-12-19-9-10-20-15)21-11-8-18(13-21,17(23)24)14-4-2-1-3-5-14/h1-5,9-10,12H,6-8,11,13H2,(H,23,24)/t18-/m1/s1
InChIKeyXRYGYMQUILVRKR-GOSISDBHSA-N
MW325.37 g/mol
LogP1.66
Rot. Bonds5

About (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid

(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 126445524) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID126445524
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1cnccn1)N1CC[C@](C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C18H19N3O3/c22-16(7-6-15-12-19-9-10-20-15)21-11-8-18(13-21,17(23)24)14-4-2-1-3-5-14/h1-5,9-10,12H,6-8,11,13H2,(H,23,24)/t18-/m1/s1
InChIKeyXRYGYMQUILVRKR-GOSISDBHSA-N
XLogP1.66
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837
4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 84588728
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-pyrazin-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 164688508
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 86969245
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 72909963
1-[3-(1,3-benzoxazol-2-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168309
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
4-[1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 119068614

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 126445524) is (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid is O=C(CCc1cnccn1)N1CC[C@](C(=O)O)(c2ccccc2)C1.
What is the InChIKey of (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XRYGYMQUILVRKR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16(7-6-15-12-19-9-10-20-15)21-11-8-18(13-21,17(23)24)14-4-2-1-3-5-14/h1-5,9-10,12H,6-8,11,13H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 126445524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).