methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate

C11H17NO7 — CID 102320964

IUPACmethyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H](O)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C11H17NO7/c1-18-10(16)6-4-3-5-12(6)9(15)7(13)8(14)11(17)19-2/h6-8,13-14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyWAYYHWFFPJCJGD-RNJXMRFFSA-N
MW275.26 g/mol
LogP-1.95
Rot. Bonds4

About methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate (PubChem CID 102320964) has the molecular formula C11H17NO7 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
PubChem CID102320964
Molecular FormulaC11H17NO7
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Namemethyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H](O)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C11H17NO7/c1-18-10(16)6-4-3-5-12(6)9(15)7(13)8(14)11(17)19-2/h6-8,13-14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyWAYYHWFFPJCJGD-RNJXMRFFSA-N
XLogP-1.95
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate (CID 102320964) is methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H](O)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate?
The InChIKey is WAYYHWFFPJCJGD-RNJXMRFFSA-N. The full InChI is InChI=1S/C11H17NO7/c1-18-10(16)6-4-3-5-12(6)9(15)7(13)8(14)11(17)19-2/h6-8,13-14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate has a molecular weight of 275.26 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 102320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).