1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid

C12H23NO3 — CID 63152515

IUPAC1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCOC)C1
InChIInChI=1S/C12H23NO3/c1-3-5-12(11(14)15)6-8-13(10-12)7-4-9-16-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyDLKXPCALGHDFIU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds7

About 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63152515) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63152515
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCOC)C1
InChIInChI=1S/C12H23NO3/c1-3-5-12(11(14)15)6-8-13(10-12)7-4-9-16-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyDLKXPCALGHDFIU-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-[4-(diethylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148499
1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63889960
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
1-(5-cyano-5-methylhexyl)-3-propylpyrrolidine-3-carboxylic acid
CID 106713211
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(3-butoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107263583
1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63152515) is 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCCOC)C1.
What is the InChIKey of 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is DLKXPCALGHDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-12(11(14)15)6-8-13(10-12)7-4-9-16-2/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).