(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid

C13H13NO5 — CID 156766666

IUPAC(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C13H13NO5/c15-11-7-6-10(14(11)13(17)18)12(16)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)/t10-/m1/s1
InChIKeyADUQSUSDDLOCQM-SNVBAGLBSA-N
MW263.25 g/mol
LogP1.40
Rot. Bonds3

About (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid

(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid (PubChem CID 156766666) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
PubChem CID156766666
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C13H13NO5/c15-11-7-6-10(14(11)13(17)18)12(16)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)/t10-/m1/s1
InChIKeyADUQSUSDDLOCQM-SNVBAGLBSA-N
XLogP1.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
dibenzyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;(2S)-5-oxopyrrolidine-2-carboxylic acid;iodide
CID 160811787
2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
benzyl (5S,7R,8aR)-7-hydroxy-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxylate
CID 101425817
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl (2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-5-oxopyrrolidine-2-carboxylate
CID 101113355
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
2-O,5-O-dibenzyl 1-O-tert-butyl pyrrolidine-1,2,5-tricarboxylate
CID 134230843

Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The IUPAC name of (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid (CID 156766666) is (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid is O=C(OCc1ccccc1)[C@H]1CCC(=O)N1C(=O)O.
What is the InChIKey of (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The InChIKey is ADUQSUSDDLOCQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11-7-6-10(14(11)13(17)18)12(16)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 156766666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).