1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid

C15H21NO3 — CID 102786893

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCc1ccccc1CN1CCC(C)C1C(=O)O
InChIInChI=1S/C15H21NO3/c1-11-7-8-16(14(11)15(17)18)9-12-5-3-4-6-13(12)10-19-2/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyUQZQSNYISDYLCH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds5

About 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786893) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786893
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCc1ccccc1CN1CCC(C)C1C(=O)O
InChIInChI=1S/C15H21NO3/c1-11-7-8-16(14(11)15(17)18)9-12-5-3-4-6-13(12)10-19-2/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyUQZQSNYISDYLCH-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072129
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107350161
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785527
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786063
3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102786635
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102785835
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784714
1-[[4-(dimethylamino)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787496
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102784109

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102786893) is 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid is COCc1ccccc1CN1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is UQZQSNYISDYLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-8-16(14(11)15(17)18)9-12-5-3-4-6-13(12)10-19-2/h3-6,11,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).