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

C9H19N3O2 — CID 64695225

IUPAC3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(C(CN)C(=O)O)C1
InChIInChI=1S/C9H19N3O2/c1-11(2)7-3-4-12(6-7)8(5-10)9(13)14/h7-8H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyJUBJUAHWWGCRKD-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.97
Rot. Bonds4

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

3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid (PubChem CID 64695225) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
PubChem CID64695225
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
SMILESCN(C)C1CCN(C(CN)C(=O)O)C1
InChIInChI=1S/C9H19N3O2/c1-11(2)7-3-4-12(6-7)8(5-10)9(13)14/h7-8H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyJUBJUAHWWGCRKD-UHFFFAOYSA-N
XLogP-0.97
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
1-(4-amino-3-methylbutan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 79408643
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
CID 55225240
2-[3-(dimethylamino)pyrrolidin-1-yl]propanehydrazide
CID 63584464
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166152

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid (CID 64695225) is 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid is CN(C)C1CCN(C(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
The InChIKey is JUBJUAHWWGCRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11(2)7-3-4-12(6-7)8(5-10)9(13)14/h7-8H,3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid?
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 64695225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).