2,4-diamino-2-methylbutanoic acid

C5H12N2O2 — CID 19431220

IUPAC2,4-diamino-2-methylbutanoic acid
SMILESCC(N)(CCN)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-5(7,2-3-6)4(8)9/h2-3,6-7H2,1H3,(H,8,9)
InChIKeyCSFFOBGGUBKCFN-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.86
Rot. Bonds3

About 2,4-diamino-2-methylbutanoic acid

2,4-diamino-2-methylbutanoic acid (PubChem CID 19431220) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,4-diamino-2-methylbutanoic acid.

Molecular Properties

Compound Name2,4-diamino-2-methylbutanoic acid
PubChem CID19431220
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2,4-diamino-2-methylbutanoic acid
SMILESCC(N)(CCN)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-5(7,2-3-6)4(8)9/h2-3,6-7H2,1H3,(H,8,9)
InChIKeyCSFFOBGGUBKCFN-UHFFFAOYSA-N
XLogP-0.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-diamino-2-methylbutanoic 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

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
2,4-Diaminobutyric acid dihydrochloride, (+-)-
CID 2724329
2,4-Diaminobutyric acid, D-
CID 638153
L-2,4-Diaminobutyric acid dihydrochloride
CID 2724265
2,4-Diaminobutanoic acid hydrochloride
CID 12430454
(2R,4S)-2,4-diaminopentanoic acid
CID 440169
2,4-Diamino-2-methylbutanoic acid;hydrochloride
CID 90672895
2,4-Diaminopentanoic acid
CID 63
2,4-Diamino(3,3,4,4-~2~H_4_)butanoic acid--hydrogen chloride (1/2)
CID 71309400
2,4-Diamino-3-methyl-butanoic acid
CID 22326331
3-(Aminomethyl)-4-aminobutanoic acid
CID 23228097

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2-methylbutanoic acid?
The IUPAC name of 2,4-diamino-2-methylbutanoic acid (CID 19431220) is 2,4-diamino-2-methylbutanoic acid.
What is the SMILES notation for 2,4-diamino-2-methylbutanoic acid?
The canonical SMILES for 2,4-diamino-2-methylbutanoic acid is CC(N)(CCN)C(=O)O.
What is the InChIKey of 2,4-diamino-2-methylbutanoic acid?
The InChIKey is CSFFOBGGUBKCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-5(7,2-3-6)4(8)9/h2-3,6-7H2,1H3,(H,8,9).
What are the key properties of 2,4-diamino-2-methylbutanoic acid?
2,4-diamino-2-methylbutanoic acid has a molecular weight of 132.16 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2-methylbutanoic acid is sourced from PubChem (CID 19431220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).