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

C23H24N4O3 — CID 158506897

IUPAC(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
SMILESCc1nocc1[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-14(17-6-4-3-5-7-17)10-21(28)27-22(19-13-30-26-15(19)2)18(23(27)29)11-16-8-9-25-20(24)12-16/h3-9,12-14,18,22H,10-11H2,1-2H3,(H2,24,25)/t14-,18+,22-/m0/s1
InChIKeyLKMAYNBMDPZOEA-OHOGDBNVSA-N
MW404.47 g/mol
LogP3.42
Rot. Bonds6

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

(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one (PubChem CID 158506897) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
PubChem CID158506897
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
SMILESCc1nocc1[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-14(17-6-4-3-5-7-17)10-21(28)27-22(19-13-30-26-15(19)2)18(23(27)29)11-16-8-9-25-20(24)12-16/h3-9,12-14,18,22H,10-11H2,1-2H3,(H2,24,25)/t14-,18+,22-/m0/s1
InChIKeyLKMAYNBMDPZOEA-OHOGDBNVSA-N
XLogP3.42
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxymethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one
CID 148786590
(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
(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(methoxyiminomethyl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one;2,2,2-trifluoroacetaldehyde
CID 159194472
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3,3-diphenylpropanoyl)-N-ethyl-4-oxoazetidine-2-carboxamide
CID 157290882
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-[4-(1,1-difluoroethoxy)phenyl]butanoyl]-4-oxoazetidine-2-carboxylic acid
CID 157393023
(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-4-(2H-tetrazol-5-yl)azetidine-1-carboxamide
CID 118300319
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-4-oxoazetidine-1,2-dicarboxamide
CID 118299696
(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-(difluoromethyl)-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123223617
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
(2R,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-(methoxyamino)-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
CID 138546217

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The IUPAC name of (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) is (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one is Cc1nocc1[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-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
The InChIKey is LKMAYNBMDPZOEA-OHOGDBNVSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(17-6-4-3-5-7-17)10-21(28)27-22(19-13-30-26-15(19)2)18(23(27)29)11-16-8-9-25-20(24)12-16/h3-9,12-14,18,22H,10-11H2,1-2H3,(H2,24,25)/t14-,18+,22-/m0/s1.
What are the key properties of (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one?
(3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(2-amino-4-pyridinyl)methyl]-4-(3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-phenylbutanoyl]azetidin-2-one is sourced from PubChem (CID 158506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).