4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

C13H17NO4 — CID 63938447

IUPAC4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C2CNCC2C(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-17-8-3-4-12(18-2)9(5-8)10-6-14-7-11(10)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeySVMHXTIPNZWSCV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.09
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 63938447) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID63938447
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C2CNCC2C(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-17-8-3-4-12(18-2)9(5-8)10-6-14-7-11(10)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeySVMHXTIPNZWSCV-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3S,4R)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70344014
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
methyl (2S)-2-[[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoate
CID 125140826
3-(2,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19802571
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656960
(4R,6S)-4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908984

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CID 63938447) is 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(OC)c(C2CNCC2C(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SVMHXTIPNZWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-8-3-4-12(18-2)9(5-8)10-6-14-7-11(10)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63938447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).