3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid

C17H19NO3 — CID 112547173

IUPAC3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc2ccccc2c1C1CCNC1C(=O)O
InChIInChI=1S/C17H19NO3/c1-21-10-12-7-6-11-4-2-3-5-13(11)15(12)14-8-9-18-16(14)17(19)20/h2-7,14,16,18H,8-10H2,1H3,(H,19,20)
InChIKeyXLTCQXGEQZHOOV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid

3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid (PubChem CID 112547173) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid
PubChem CID112547173
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc2ccccc2c1C1CCNC1C(=O)O
InChIInChI=1S/C17H19NO3/c1-21-10-12-7-6-11-4-2-3-5-13(11)15(12)14-8-9-18-16(14)17(19)20/h2-7,14,16,18H,8-10H2,1H3,(H,19,20)
InChIKeyXLTCQXGEQZHOOV-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 79337694
(2R,3R)-3-[2-(methoxymethyl)naphthalen-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 129412044
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
CID 131873357
(2S,3R)-3-(3-carboxy-5-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 78320617
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid (CID 112547173) is 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid is COCc1ccc2ccccc2c1C1CCNC1C(=O)O.
What is the InChIKey of 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is XLTCQXGEQZHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-10-12-7-6-11-4-2-3-5-13(11)15(12)14-8-9-18-16(14)17(19)20/h2-7,14,16,18H,8-10H2,1H3,(H,19,20).
What are the key properties of 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid?
3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)naphthalen-1-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112547173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).