[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid

C5H10NO6P — CID 167104505

IUPAC[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
SMILESCO[C@H]1C[C@H](P(=O)(O)O)C(=O)N1O
InChIInChI=1S/C5H10NO6P/c1-12-4-2-3(13(9,10)11)5(7)6(4)8/h3-4,8H,2H2,1H3,(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyKBJHKBZDSYHRHL-IMJSIDKUSA-N
MW211.11 g/mol
LogP-0.87
Rot. Bonds2

About [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid

[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid (PubChem CID 167104505) has the molecular formula C5H10NO6P and a molecular weight of 211.11 g/mol. Its IUPAC name is [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
PubChem CID167104505
Molecular FormulaC5H10NO6P
Molecular Weight211.11 g/mol
Exact Mass211.02
IUPAC Name[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
SMILESCO[C@H]1C[C@H](P(=O)(O)O)C(=O)N1O
InChIInChI=1S/C5H10NO6P/c1-12-4-2-3(13(9,10)11)5(7)6(4)8/h3-4,8H,2H2,1H3,(H2,9,10,11)/t3-,4-/m0/s1
InChIKeyKBJHKBZDSYHRHL-IMJSIDKUSA-N
XLogP-0.87
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
CID 144590168
(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 132516448
3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
CID 118287894
(2-oxopyrrolidin-3-yl)phosphonic acid
CID 19906170
(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid
CID 122515579
3-hydroxy-1-methoxypiperidine-2,6-dione
CID 167136496
1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
CID 18644989
(3S)-5-methoxy-1-methylpyrrolidine-3-carboxylic acid
CID 91054882
1-(2,6-dimethoxypiperidin-1-yl)ethanone
CID 21322863
(3S,5R)-3,5-dimethoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 132536406
4,6-dimethoxy-1,3-dimethyl-1,3-diazinan-2-amine
CID 152969309
1-amino-5-methoxypyrrolidin-2-one
CID 123886673

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid?
The IUPAC name of [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid (CID 167104505) is [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid.
What is the SMILES notation for [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid?
The canonical SMILES for [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid is CO[C@H]1C[C@H](P(=O)(O)O)C(=O)N1O.
What is the InChIKey of [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid?
The InChIKey is KBJHKBZDSYHRHL-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10NO6P/c1-12-4-2-3(13(9,10)11)5(7)6(4)8/h3-4,8H,2H2,1H3,(H2,9,10,11)/t3-,4-/m0/s1.
What are the key properties of [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid?
[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid has a molecular weight of 211.11 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid is sourced from PubChem (CID 167104505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).