2-(aminomethyl)-3-(dimethylamino)propanoic acid

C6H14N2O2 — CID 151961151

IUPAC2-(aminomethyl)-3-(dimethylamino)propanoic acid
SMILESCN(C)CC(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-5(3-7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyTYROFLDQZBXSQD-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.79
Rot. Bonds4

About 2-(aminomethyl)-3-(dimethylamino)propanoic acid

2-(aminomethyl)-3-(dimethylamino)propanoic acid (PubChem CID 151961151) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(dimethylamino)propanoic acid
PubChem CID151961151
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(aminomethyl)-3-(dimethylamino)propanoic acid
SMILESCN(C)CC(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-5(3-7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyTYROFLDQZBXSQD-UHFFFAOYSA-N
XLogP-0.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-3-(dimethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]butanoic acid;methanediimine;hydrochloride
CID 160536881
2-(aminomethyl)-3-fluoropropanoic acid
CID 20508331
(2R)-2-(aminomethyl)-3-hydroxypropanoic acid
CID 46936524
2-[(dimethylamino)methyl]-4-methylhexanedioic acid
CID 57117871
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
2-[(dimethylamino)methyl]-4-oxo-4-[(E)-pent-2-enoxy]butanoic acid
CID 58988459
2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
CID 89012096
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
2-(aminomethyl)-4-methylsulfanylbutanoic acid
CID 55297456
2-(aminomethyl)-5,6-dimethylheptanoic acid
CID 142907975
2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(dimethylamino)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(dimethylamino)propanoic acid (CID 151961151) is 2-(aminomethyl)-3-(dimethylamino)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(dimethylamino)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(dimethylamino)propanoic acid is CN(C)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(dimethylamino)propanoic acid?
The InChIKey is TYROFLDQZBXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8(2)4-5(3-7)6(9)10/h5H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 2-(aminomethyl)-3-(dimethylamino)propanoic acid?
2-(aminomethyl)-3-(dimethylamino)propanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(dimethylamino)propanoic acid is sourced from PubChem (CID 151961151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).