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

C9H17NO4 — CID 103535229

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
SMILESCOC1CN(C(C)C(=O)O)CC1OC
InChIInChI=1S/C9H17NO4/c1-6(9(11)12)10-4-7(13-2)8(5-10)14-3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyMFYYQQLRUOVRQG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.19
Rot. Bonds4

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

2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid (PubChem CID 103535229) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
PubChem CID103535229
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
SMILESCOC1CN(C(C)C(=O)O)CC1OC
InChIInChI=1S/C9H17NO4/c1-6(9(11)12)10-4-7(13-2)8(5-10)14-3/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyMFYYQQLRUOVRQG-UHFFFAOYSA-N
XLogP-0.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-diethoxypyrrolidin-1-yl)propanoic acid
CID 121203953
2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
CID 103540530
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
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
2-(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid
CID 127020810
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
3,4-dimethoxy-1-propan-2-ylpiperidine
CID 126655674
(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321650
2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
CID 83835259
(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
CID 129359488

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid (CID 103535229) is 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid is COC1CN(C(C)C(=O)O)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid?
The InChIKey is MFYYQQLRUOVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(9(11)12)10-4-7(13-2)8(5-10)14-3/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid?
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 103535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).