2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid

C11H21NO4 — CID 121203953

IUPAC2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid
SMILESCCOC1CN(C(C)C(=O)O)CC1OCC
InChIInChI=1S/C11H21NO4/c1-4-15-9-6-12(8(3)11(13)14)7-10(9)16-5-2/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyWHBMCJVZUPIJAI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds6

About 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid

2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid (PubChem CID 121203953) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid
PubChem CID121203953
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid
SMILESCCOC1CN(C(C)C(=O)O)CC1OCC
InChIInChI=1S/C11H21NO4/c1-4-15-9-6-12(8(3)11(13)14)7-10(9)16-5-2/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyWHBMCJVZUPIJAI-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]butanoic acid
CID 129499649
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
(2S)-2-[(3R,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]butanoic acid
CID 129499596
(2R)-2-[(3aS,6aS)-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propanoic acid
CID 129494398
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanoic acid
CID 131057852
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765770
(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129354224
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
(2R)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129354223
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid
CID 127020810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid (CID 121203953) is 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid is CCOC1CN(C(C)C(=O)O)CC1OCC.
What is the InChIKey of 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid?
The InChIKey is WHBMCJVZUPIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-15-9-6-12(8(3)11(13)14)7-10(9)16-5-2/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid?
2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 121203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).