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

C13H13NO5 — CID 688429

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

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

(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 688429) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID688429
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m1/s1
InChIKeyVHSFUGXCSGOKJX-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

1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
dibenzyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;(2S)-5-oxopyrrolidine-2-carboxylic acid;iodide
CID 160811787
benzyl (2S)-2-(3-diazo-2-oxopropanoyl)-5-oxopyrrolidine-1-carboxylate
CID 54304369
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
1-O-benzyl 2-O-(4-nitrophenyl) 5-oxopyrrolidine-1,2-dicarboxylate
CID 12850937

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 688429) is (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is VHSFUGXCSGOKJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-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 (2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 688429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).