dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate

C14H17NO5 — CID 102334992

IUPACdimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H](c2ccccc2)N1O
InChIInChI=1S/C14H17NO5/c1-19-13(16)10-8-11(14(17)20-2)15(18)12(10)9-6-4-3-5-7-9/h3-7,10-12,18H,8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyHOWFUMGBCZXYHS-UTUOFQBUSA-N
MW279.29 g/mol
LogP1.15
Rot. Bonds3

About dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate

dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 102334992) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID102334992
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namedimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H](c2ccccc2)N1O
InChIInChI=1S/C14H17NO5/c1-19-13(16)10-8-11(14(17)20-2)15(18)12(10)9-6-4-3-5-7-9/h3-7,10-12,18H,8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyHOWFUMGBCZXYHS-UTUOFQBUSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (2S,4S,5R)-1-hydroxy-5-(4-phenylphenyl)pyrrolidine-2,4-dicarboxylate
CID 56850487
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
bis((2R,3S,5S)-N-benzoyl-3,5-bis(methoxycarbonyl)-2-phenylpyrrolidine-1-carboximidothioate);nickel(2+)
CID 135857407
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate
CID 102334991
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
dimethyl (3R,4S,7S,8R,8aS)-1-oxo-3,4-diphenyl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate
CID 10431628
methyl (2S,3R)-1-(2-chloroacetyl)-2-phenylpyrrolidine-3-carboxylate
CID 154856703

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate (CID 102334992) is dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H](c2ccccc2)N1O.
What is the InChIKey of dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is HOWFUMGBCZXYHS-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-13(16)10-8-11(14(17)20-2)15(18)12(10)9-6-4-3-5-7-9/h3-7,10-12,18H,8H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 102334992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).