2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid

C12H23N3O2 — CID 63165297

IUPAC2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(CC(NC2CC2)C(=O)O)C1
InChIInChI=1S/C12H23N3O2/c1-14(2)10-5-6-15(7-10)8-11(12(16)17)13-9-3-4-9/h9-11,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyDOOXKRISSNVGAP-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.17
Rot. Bonds6

About 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid

2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid (PubChem CID 63165297) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
PubChem CID63165297
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(CC(NC2CC2)C(=O)O)C1
InChIInChI=1S/C12H23N3O2/c1-14(2)10-5-6-15(7-10)8-11(12(16)17)13-9-3-4-9/h9-11,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyDOOXKRISSNVGAP-UHFFFAOYSA-N
XLogP-0.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid (CID 63165297) is 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid is CN(C)C1CCN(CC(NC2CC2)C(=O)O)C1.
What is the InChIKey of 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The InChIKey is DOOXKRISSNVGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(2)10-5-6-15(7-10)8-11(12(16)17)13-9-3-4-9/h9-11,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 63165297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).