2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid

C14H19NO4 — CID 175740726

IUPAC2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
SMILESCC1CC(OCc2ccccc2)C(CO)N1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-7-13(12(8-16)15(10)14(17)18)19-9-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18)
InChIKeyUFTSQDWEBLVPJS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds4

About 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid

2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid (PubChem CID 175740726) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
PubChem CID175740726
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
SMILESCC1CC(OCc2ccccc2)C(CO)N1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-7-13(12(8-16)15(10)14(17)18)19-9-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18)
InChIKeyUFTSQDWEBLVPJS-UHFFFAOYSA-N
XLogP1.70
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-formyl-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 174208737
benzyl (5R)-2-formyl-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 154622429
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid
CID 21496336
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
1-[(2R,3S)-5-hydroxy-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 11121805
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
benzyl (2S,3R,4R,5R)-2-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
CID 53355865
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid (CID 175740726) is 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid is CC1CC(OCc2ccccc2)C(CO)N1C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid?
The InChIKey is UFTSQDWEBLVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-7-13(12(8-16)15(10)14(17)18)19-9-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18).
What are the key properties of 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid?
2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175740726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).