2,4-diamino-3-methylbutanoic acid

C5H12N2O2 — CID 22326331

IUPAC2,4-diamino-3-methylbutanoic acid
SMILESCC(CN)C(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-3(2-6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyUWNBABFZOWPLEC-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.01
Rot. Bonds3

About 2,4-diamino-3-methylbutanoic acid

2,4-diamino-3-methylbutanoic acid (PubChem CID 22326331) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,4-diamino-3-methylbutanoic acid.

Molecular Properties

Compound Name2,4-diamino-3-methylbutanoic acid
PubChem CID22326331
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2,4-diamino-3-methylbutanoic acid
SMILESCC(CN)C(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-3(2-6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyUWNBABFZOWPLEC-UHFFFAOYSA-N
XLogP-1.01
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 ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-3-methylbutanoic acid?
The IUPAC name of 2,4-diamino-3-methylbutanoic acid (CID 22326331) is 2,4-diamino-3-methylbutanoic acid.
What is the SMILES notation for 2,4-diamino-3-methylbutanoic acid?
The canonical SMILES for 2,4-diamino-3-methylbutanoic acid is CC(CN)C(N)C(=O)O.
What is the InChIKey of 2,4-diamino-3-methylbutanoic acid?
The InChIKey is UWNBABFZOWPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(2-6)4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9).
What are the key properties of 2,4-diamino-3-methylbutanoic acid?
2,4-diamino-3-methylbutanoic acid has a molecular weight of 132.16 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-3-methylbutanoic acid is sourced from PubChem (CID 22326331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).