methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate

C14H17NO4 — CID 70987709

IUPACmethyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)NC(CCc2ccccc2)C1O
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-12(16)10(15-13(11)17)8-7-9-5-3-2-4-6-9/h2-6,10-12,16H,7-8H2,1H3,(H,15,17)
InChIKeySOLALAZKADFVBZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.27
Rot. Bonds4

About methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate

methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 70987709) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID70987709
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)NC(CCc2ccccc2)C1O
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-12(16)10(15-13(11)17)8-7-9-5-3-2-4-6-9/h2-6,10-12,16H,7-8H2,1H3,(H,15,17)
InChIKeySOLALAZKADFVBZ-UHFFFAOYSA-N
XLogP0.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
methyl (1R,3R,3aR,6aS)-4,6-dioxo-1-(2-phenylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
CID 134949680
4-hydroxy-N-(1-methylindazol-6-yl)-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 70987847
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
CID 10492694
methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
CID 73324816
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209098
methyl (5R,6S)-4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 917124
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
dimethyl (2R,3S,4R,5R)-2-benzylsulfanylcarbonyl-5-(2-phenylethyl)pyrrolidine-3,4-dicarboxylate
CID 101405239
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 70987709) is methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate is COC(=O)C1C(=O)NC(CCc2ccccc2)C1O.
What is the InChIKey of methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is SOLALAZKADFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-14(18)11-12(16)10(15-13(11)17)8-7-9-5-3-2-4-6-9/h2-6,10-12,16H,7-8H2,1H3,(H,15,17).
What are the key properties of methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate?
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 70987709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).