3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid

C8H18N2O4 — CID 175706063

IUPAC3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid
SMILESCC(CN)C(=O)O.CNCCC(=O)O
InChIInChI=1S/2C4H9NO2/c1-5-3-2-4(6)7;1-3(2-5)4(6)7/h5H,2-3H2,1H3,(H,6,7);3H,2,5H2,1H3,(H,6,7)
InChIKeyJDIFQDGLOYHUPS-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.65
Rot. Bonds5

About 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid

3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid (PubChem CID 175706063) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid
PubChem CID175706063
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid
SMILESCC(CN)C(=O)O.CNCCC(=O)O
InChIInChI=1S/2C4H9NO2/c1-5-3-2-4(6)7;1-3(2-5)4(6)7/h5H,2-3H2,1H3,(H,6,7);3H,2,5H2,1H3,(H,6,7)
InChIKeyJDIFQDGLOYHUPS-UHFFFAOYSA-N
XLogP-0.65
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methylpropanoic acid;3-(methylamino)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

N-methyl-beta-alanine
CID 75891
Spermic acid
CID 167029
2-Methyl-3-(methylamino)propanoic acid
CID 18404486
Ethylenediamine-N,N'-dipropionic acid
CID 535840
3-[(2-Methylpropyl)amino]propanoic acid
CID 16228510
2-Methyl-3-(methylamino)propanoic acid hydrochloride
CID 47003060
3-[3-(2-Carboxyethylamino)propylamino]propanoic acid
CID 370178
3-[(2-Methylpropyl)amino]propanoic acid hydrochloride
CID 45791532
3-(Ethylamino)-2-methylpropanoic acid hydrochloride
CID 47003379
4,7,10-Triazatridecanedioic acid
CID 23422359
1,4,8,11-Tetraazacyclotetradecane-6,13-dicarboxylic acid
CID 67225401
3-(Carboxyamino)-2-methylpropanoic acid
CID 122599763

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid?
The IUPAC name of 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid (CID 175706063) is 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid?
The canonical SMILES for 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid is CC(CN)C(=O)O.CNCCC(=O)O.
What is the InChIKey of 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid?
The InChIKey is JDIFQDGLOYHUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO2/c1-5-3-2-4(6)7;1-3(2-5)4(6)7/h5H,2-3H2,1H3,(H,6,7);3H,2,5H2,1H3,(H,6,7).
What are the key properties of 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid?
3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropanoic acid;3-(methylamino)propanoic acid is sourced from PubChem (CID 175706063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).