(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one

C21H25N3O3 — CID 148786590

IUPAC(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
SMILESCOC[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-14(16-6-4-3-5-7-16)10-20(25)24-18(13-27-2)17(21(24)26)11-15-8-9-23-19(22)12-15/h3-9,12,14,17-18H,10-11,13H2,1-2H3,(H2,22,23)/t14-,17+,18+/m0/s1
InChIKeyOLIQXJRJDCZAPU-BMGDILEWSA-N
MW367.45 g/mol
LogP2.40
Rot. Bonds7

About (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one

(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one (PubChem CID 148786590) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
PubChem CID148786590
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
SMILESCOC[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-14(16-6-4-3-5-7-16)10-20(25)24-18(13-27-2)17(21(24)26)11-15-8-9-23-19(22)12-15/h3-9,12,14,17-18H,10-11,13H2,1-2H3,(H2,22,23)/t14-,17+,18+/m0/s1
InChIKeyOLIQXJRJDCZAPU-BMGDILEWSA-N
XLogP2.40
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxyiminomethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one;2,2,2-trifluoroacetaldehyde
CID 159194472
(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
CID 158506897
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid
CID 157393023
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyridin-2-ylbutanoyl]azetidine-2-carboxylic acid
CID 148520362
ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3,3-diphenylpropanoyl)-4-oxoazetidine-2-carboxylate
CID 147920892
(2R,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-(methoxyamino)-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
CID 138546217
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3,3-diphenylpropanoyl)-N-ethyl-4-oxoazetidine-2-carboxamide
CID 157290882
ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate
CID 157401071
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-4-oxoazetidine-1,2-dicarboxamide
CID 118299696
3-[(2-amino-4-pyridinyl)methyl]-2-(difluoromethyl)-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123223617
(2R,3S)-3-[(2-amino-4-pyridinyl)methyl]-N-benzhydryl-2-methylsulfonyl-4-oxoazetidine-1-carboxamide
CID 118303472
3-[(2-amino-4-pyridinyl)methyl]-2-methanimidoyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123823658

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one (CID 148786590) is (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one is COC[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The InChIKey is OLIQXJRJDCZAPU-BMGDILEWSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(16-6-4-3-5-7-16)10-20(25)24-18(13-27-2)17(21(24)26)11-15-8-9-23-19(22)12-15/h3-9,12,14,17-18H,10-11,13H2,1-2H3,(H2,22,23)/t14-,17+,18+/m0/s1.
What are the key properties of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one is sourced from PubChem (CID 148786590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).