(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide

C15H20N3O6P — CID 57314937

IUPAC(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide
SMILESCOP(=O)(NC(=O)N1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C)OC
InChIInChI=1S/C15H20N3O6P/c1-10-13(16-12(19)9-11-7-5-4-6-8-11)14(20)18(10)15(21)17-25(22,23-2)24-3/h4-8,10,13H,9H2,1-3H3,(H,16,19)(H,17,21,22)/t10-,13-/m0/s1
InChIKeyJORXWQPJEGQRNP-GWCFXTLKSA-N
MW369.31 g/mol
LogP1.06
Rot. Bonds6

About (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide

(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide (PubChem CID 57314937) has the molecular formula C15H20N3O6P and a molecular weight of 369.31 g/mol. Its IUPAC name is (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide
PubChem CID57314937
Molecular FormulaC15H20N3O6P
Molecular Weight369.31 g/mol
Exact Mass369.11
IUPAC Name(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide
SMILESCOP(=O)(NC(=O)N1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C)OC
InChIInChI=1S/C15H20N3O6P/c1-10-13(16-12(19)9-11-7-5-4-6-8-11)14(20)18(10)15(21)17-25(22,23-2)24-3/h4-8,10,13H,9H2,1-3H3,(H,16,19)(H,17,21,22)/t10-,13-/m0/s1
InChIKeyJORXWQPJEGQRNP-GWCFXTLKSA-N
XLogP1.06
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,5R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70367326
(5S,6R)-3-methoxycarbonyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 102011005
3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide
CID 23297556
methyl (5R)-3-(iodomethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70610302
(4S,6S)-4-methoxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57265891
2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid
CID 22561648
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
tert-butyl 2-dimethoxyphosphoryl-2-[(2R,3R)-2-(2-hydroxy-2-phenylethyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
CID 11376235
methyl (6R,7R)-3-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 12784164
methyl (6S)-3-iodo-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
CID 54467203
N-cyclopropyl-2-phenylacetamide
CID 5175687
tert-butyl 2-[(2R,3R)-2-(2-hydroxypropylsulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 88795978

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide?
The IUPAC name of (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide (CID 57314937) is (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide?
The canonical SMILES for (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide is COP(=O)(NC(=O)N1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C)OC.
What is the InChIKey of (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide?
The InChIKey is JORXWQPJEGQRNP-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H20N3O6P/c1-10-13(16-12(19)9-11-7-5-4-6-8-11)14(20)18(10)15(21)17-25(22,23-2)24-3/h4-8,10,13H,9H2,1-3H3,(H,16,19)(H,17,21,22)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide?
(2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide has a molecular weight of 369.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-dimethoxyphosphoryl-2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 57314937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).