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

C10H20N2O4 — CID 103538160

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid
SMILESCNC(CN1CC(OC)C(OC)C1)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-11-7(10(13)14)4-12-5-8(15-2)9(6-12)16-3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyRUOVWVAPGHCEJU-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.00
Rot. Bonds6

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

3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid (PubChem CID 103538160) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid
PubChem CID103538160
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid
SMILESCNC(CN1CC(OC)C(OC)C1)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-11-7(10(13)14)4-12-5-8(15-2)9(6-12)16-3/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyRUOVWVAPGHCEJU-UHFFFAOYSA-N
XLogP-1.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid (CID 103538160) is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid is CNC(CN1CC(OC)C(OC)C1)C(=O)O.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid?
The InChIKey is RUOVWVAPGHCEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-11-7(10(13)14)4-12-5-8(15-2)9(6-12)16-3/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid?
3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 103538160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).