(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid

C15H21NO3 — CID 119914155

IUPAC(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(CCCN2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-7-2-5-12(11-13)6-3-9-16-10-4-8-14(16)15(17)18/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyPIROYSPJZHDHSW-CQSZACIVSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds6

About (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 119914155) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID119914155
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(CCCN2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-7-2-5-12(11-13)6-3-9-16-10-4-8-14(16)15(17)18/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyPIROYSPJZHDHSW-CQSZACIVSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxy-benzyl)-piperidine-2-carboxylic acid
CID 3297083
(2S)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456090
(2R)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456091
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid (E)-3-(2,5-dimethoxy-phenyl)-allyl ester
CID 21027754
(2S,4S)-4-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 10466593
Methyl 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 18678296
(S)-1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 44342007
(2S,3S,4S)-3-Carboxymethyl-4-[1-(3-methoxy-phenyl)-vinyl]-pyrrolidine-2-carboxylic acid
CID 10614515
(2S,4S)-4-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 54582772
1-[4-[2-(2-Phenylethyl)phenoxy]butyl]pyrrolidine-2-carboxylic acid
CID 14623717
3-(3-Methoxyphenyl)-1-methylpyrrolidin-3-yl propanoate
CID 113868
3-(3-Methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl propanoate
CID 3053119

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid (CID 119914155) is (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid is COc1cccc(CCCN2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PIROYSPJZHDHSW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-7-2-5-12(11-13)6-3-9-16-10-4-8-14(16)15(17)18/h2,5,7,11,14H,3-4,6,8-10H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119914155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).