1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid

C11H21NO3 — CID 59148061

IUPAC1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OCCCN1CCCC1C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(2)15-8-4-7-12-6-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXLSSSSMGMLHTOD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid

1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 59148061) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID59148061
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)OCCCN1CCCC1C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(2)15-8-4-7-12-6-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXLSSSSMGMLHTOD-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-propan-2-yloxypropyl)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

(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
CID 172742310
CID 172742310
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
methyl 1-(4-propan-2-yloxybutyl)azetidine-2-carboxylate
CID 106003667
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
4-hydroxy-1-(3-propan-2-yloxypropyl)-3-[1-(3-propan-2-yloxypropyl)pyrrolidin-2-yl]piperidine-4-carboxylic acid
CID 147767067
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid (CID 59148061) is 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid is CC(C)OCCCN1CCCC1C(=O)O.
What is the InChIKey of 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XLSSSSMGMLHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)15-8-4-7-12-6-3-5-10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid?
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59148061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).