methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate

C14H15NO4 — CID 56950772

IUPACmethyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4/c1-19-14(18)11-7-8-12(16)15(11)13(17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyODDCKAZQWSFWLA-NSHDSACASA-N
MW261.28 g/mol
LogP0.92
Rot. Bonds3

About methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate

methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate (PubChem CID 56950772) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
PubChem CID56950772
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4/c1-19-14(18)11-7-8-12(16)15(11)13(17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyODDCKAZQWSFWLA-NSHDSACASA-N
XLogP0.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
methyl 5-oxo-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
CID 14038143
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 82122509
1-[2-(4-bromophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 84606584
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 91397358
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
phosphanyl 1-[2-(benzenesulfonyl)acetyl]-5-oxopyrrolidine-2-carboxylate
CID 142066997
methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 101265890
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
methyl 1-[(2-nitrophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10850187

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate (CID 56950772) is methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(=O)N1C(=O)Cc1ccccc1.
What is the InChIKey of methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is ODDCKAZQWSFWLA-NSHDSACASA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-14(18)11-7-8-12(16)15(11)13(17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate?
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 56950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).