(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C15H19N5O — CID 129426089

IUPAC(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H19N5O/c16-15(21)14(12-5-2-1-3-6-12)20-8-4-7-13(20)9-19-11-17-10-18-19/h1-3,5-6,10-11,13-14H,4,7-9H2,(H2,16,21)/t13-,14+/m0/s1
InChIKeyPGLGZOSQEXIWFG-UONOGXRCSA-N
MW285.35 g/mol
LogP0.97
Rot. Bonds5

About (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 129426089) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID129426089
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H19N5O/c16-15(21)14(12-5-2-1-3-6-12)20-8-4-7-13(20)9-19-11-17-10-18-19/h1-3,5-6,10-11,13-14H,4,7-9H2,(H2,16,21)/t13-,14+/m0/s1
InChIKeyPGLGZOSQEXIWFG-UONOGXRCSA-N
XLogP0.97
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
CID 129461551
(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-phenyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95315336
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95337427
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
2-(hydroxymethyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428221

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 129426089) is (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cncn1.
What is the InChIKey of (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PGLGZOSQEXIWFG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15(21)14(12-5-2-1-3-6-12)20-8-4-7-13(20)9-19-11-17-10-18-19/h1-3,5-6,10-11,13-14H,4,7-9H2,(H2,16,21)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129426089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).