2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid

C11H23N3O2 — CID 79319869

IUPAC2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
SMILESCCN1CCCC1CN(C)CC(N)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-3-14-6-4-5-9(14)7-13(2)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)
InChIKeyRXLSBKDFGFUMRI-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.19
Rot. Bonds6

About 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid

2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid (PubChem CID 79319869) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
PubChem CID79319869
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
SMILESCCN1CCCC1CN(C)CC(N)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-3-14-6-4-5-9(14)7-13(2)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)
InChIKeyRXLSBKDFGFUMRI-UHFFFAOYSA-N
XLogP-0.19
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 79319274
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
CID 79315355
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992140

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid (CID 79319869) is 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid is CCN1CCCC1CN(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The InChIKey is RXLSBKDFGFUMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-14-6-4-5-9(14)7-13(2)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 79319869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).