(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide

C18H25N3O3 — CID 75411518

IUPAC(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCC1
InChIInChI=1S/C18H25N3O3/c1-19-17(22)16(13-7-3-4-9-15(13)24-2)21-12-5-8-14(21)18(23)20-10-6-11-20/h3-4,7,9,14,16H,5-6,8,10-12H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLFGVSQIFUIULLT-GOEBONIOSA-N
MW331.42 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide

(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 75411518) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID75411518
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCC1
InChIInChI=1S/C18H25N3O3/c1-19-17(22)16(13-7-3-4-9-15(13)24-2)21-12-5-8-14(21)18(23)20-10-6-11-20/h3-4,7,9,14,16H,5-6,8,10-12H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLFGVSQIFUIULLT-GOEBONIOSA-N
XLogP1.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 146119399
(2R)-2-(4-methoxyphenyl)-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411419
(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75411442
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 75529661
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide;hydrochloride
CID 146119422
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4020341
1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 163063879
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3876106
1-[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4039276
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide (CID 75411518) is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide is CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCC1.
What is the InChIKey of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is LFGVSQIFUIULLT-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-19-17(22)16(13-7-3-4-9-15(13)24-2)21-12-5-8-14(21)18(23)20-10-6-11-20/h3-4,7,9,14,16H,5-6,8,10-12H2,1-2H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide?
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 75411518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).