2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid

C12H23NO3 — CID 106454643

IUPAC2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)COCCN1CCCC1CC(=O)O
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-7-6-13-5-3-4-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyWXKFANYJLYRDBR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds7

About 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 106454643) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID106454643
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)COCCN1CCCC1CC(=O)O
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-7-6-13-5-3-4-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyWXKFANYJLYRDBR-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'}

Analyze 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic 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

2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
CID 61010857

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid (CID 106454643) is 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid is CC(C)COCCN1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WXKFANYJLYRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)9-16-7-6-13-5-3-4-11(13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic 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 2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 106454643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).