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

C9H19N3O2 — CID 106020229

IUPAC2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
SMILESCN1CCCC1CNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-12-4-2-3-7(12)5-11-6-8(10)9(13)14/h7-8,11H,2-6,10H2,1H3,(H,13,14)
InChIKeyNDUFZKYNKLUWIF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.92
Rot. Bonds5

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

2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid (PubChem CID 106020229) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
PubChem CID106020229
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
SMILESCN1CCCC1CNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-12-4-2-3-7(12)5-11-6-8(10)9(13)14/h7-8,11H,2-6,10H2,1H3,(H,13,14)
InChIKeyNDUFZKYNKLUWIF-UHFFFAOYSA-N
XLogP-0.92
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
CID 106020198
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid (CID 106020229) is 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid is CN1CCCC1CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid?
The InChIKey is NDUFZKYNKLUWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12-4-2-3-7(12)5-11-6-8(10)9(13)14/h7-8,11H,2-6,10H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid?
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 106020229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).