(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C12H15NO3 — CID 28875717

IUPAC(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-10(3-5-11)13-7-6-9(8-13)12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyHXBCDDRPFLPZKK-SECBINFHSA-N
MW221.26 g/mol
LogP1.61
Rot. Bonds3

About (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 28875717) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID28875717
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C12H15NO3/c1-16-11-4-2-10(3-5-11)13-7-6-9(8-13)12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyHXBCDDRPFLPZKK-SECBINFHSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048390
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 28875717) is (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(N2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HXBCDDRPFLPZKK-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-4-2-10(3-5-11)13-7-6-9(8-13)12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 28875717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).