5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid

C9H17NO3 — CID 112574893

IUPAC5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
SMILESCOCCCC1CCC(C(=O)O)N1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-7-4-5-8(10-7)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyIAMPGADOCSSBHO-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds5

About 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid

5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 112574893) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID112574893
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
SMILESCOCCCC1CCC(C(=O)O)N1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-7-4-5-8(10-7)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyIAMPGADOCSSBHO-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
(2S,5S)-5-(4-ethoxybutoxymethyl)pyrrolidine-2-carboxylic acid
CID 135036974
5-(4-methoxybutyl)azepane-2-carboxylic acid
CID 69224160
6-octylpiperidine-2-carboxylic acid
CID 112574283
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
CID 112574146
2-(2-methoxyethyl)-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500615
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 112574857
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid (CID 112574893) is 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid is COCCCC1CCC(C(=O)O)N1.
What is the InChIKey of 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IAMPGADOCSSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-2-3-7-4-5-8(10-7)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid?
5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112574893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).