(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride

C17H24ClN3O2 — CID 146119399

IUPAC(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCC1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,21);1H/t14-,15+;/m0./s1
InChIKeyUWNUUXAGBIDKNN-LDXVYITESA-N
MW337.85 g/mol
LogP1.59
Rot. Bonds4

About (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride

(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride (PubChem CID 146119399) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
PubChem CID146119399
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCC1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,21);1H/t14-,15+;/m0./s1
InChIKeyUWNUUXAGBIDKNN-LDXVYITESA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 75411518
(2R)-2-(4-methoxyphenyl)-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411419
(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177
(2S)-N-tert-butyl-1-[(1R)-1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 172884841
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
(2R)-N,4-dimethyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentanamide;hydrochloride
CID 146119390
(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75411442
(2S)-1-[(1R)-1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 172884842
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide;hydrochloride
CID 146119422
1-[iodo(phenyl)methyl]pyrrolidine-2-carboxylic acid
CID 69182607
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 75529661
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride?
The IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride (CID 146119399) is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride is CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCC1.Cl.
What is the InChIKey of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride?
The InChIKey is UWNUUXAGBIDKNN-LDXVYITESA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19;/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,21);1H/t14-,15+;/m0./s1.
What are the key properties of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride?
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 146119399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).