3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid

C13H15NO5 — CID 175801457

IUPAC3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1C(OCc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C13H15NO5/c15-12(16)11-10(6-7-14(11)13(17)18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)
InChIKeyOMLORYKYADRDET-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.41
Rot. Bonds4

About 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid

3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 175801457) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
PubChem CID175801457
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1C(OCc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C13H15NO5/c15-12(16)11-10(6-7-14(11)13(17)18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)
InChIKeyOMLORYKYADRDET-UHFFFAOYSA-N
XLogP1.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 22840073
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 21290216
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylmethoxypiperidine-2-carboxylic acid
CID 15521347
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
(2S,3S)-1-prop-2-enoyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 146568370
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
benzyl (2S,3R,4R)-2-(chloromethyl)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 102526085
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
CID 166278055
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid (CID 175801457) is 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid is O=C(O)C1C(OCc2ccccc2)CCN1C(=O)O.
What is the InChIKey of 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is OMLORYKYADRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)11-10(6-7-14(11)13(17)18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid?
3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 175801457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).