3,4-diamino-2-methylbutanoic acid

C5H12N2O2 — CID 19798913

IUPAC3,4-diamino-2-methylbutanoic acid
SMILESCC(C(=O)O)C(N)CN
InChIInChI=1S/C5H12N2O2/c1-3(5(8)9)4(7)2-6/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyWINSMAQNWGIWPD-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.01
Rot. Bonds3

About 3,4-diamino-2-methylbutanoic acid

3,4-diamino-2-methylbutanoic acid (PubChem CID 19798913) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,4-diamino-2-methylbutanoic acid.

Molecular Properties

Compound Name3,4-diamino-2-methylbutanoic acid
PubChem CID19798913
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3,4-diamino-2-methylbutanoic acid
SMILESCC(C(=O)O)C(N)CN
InChIInChI=1S/C5H12N2O2/c1-3(5(8)9)4(7)2-6/h3-4H,2,6-7H2,1H3,(H,8,9)
InChIKeyWINSMAQNWGIWPD-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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Related Compounds

3,4-Diaminobutanoic acid dihydrochloride
CID 54593130
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
Butanoic acid, 4-amino-2-methyl-, (2S)-
CID 928193
(R)-4-amino-2-methylbutanoic acid
CID 928194
Butanoic acid, 4-amino-3-methyl-, (R)-
CID 6604938
4-Amino-2-aminomethyl-3-methyl-butyric acid
CID 10080534
4-amino-2-(aminomethyl)butanoic Acid
CID 10582817
4-Amino-2-aminomethyl-3,3-dimethyl-butyric acid
CID 10678540
(1S,2R)-2-Aminocyclopropane-1-carboxylic acid
CID 28881819
cis-2-Aminocyclopropanecarboxylic acid
CID 28881824
(3S)-4-amino-3-methylbutanoic acid
CID 44313226

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2-methylbutanoic acid?
The IUPAC name of 3,4-diamino-2-methylbutanoic acid (CID 19798913) is 3,4-diamino-2-methylbutanoic acid.
What is the SMILES notation for 3,4-diamino-2-methylbutanoic acid?
The canonical SMILES for 3,4-diamino-2-methylbutanoic acid is CC(C(=O)O)C(N)CN.
What is the InChIKey of 3,4-diamino-2-methylbutanoic acid?
The InChIKey is WINSMAQNWGIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(5(8)9)4(7)2-6/h3-4H,2,6-7H2,1H3,(H,8,9).
What are the key properties of 3,4-diamino-2-methylbutanoic acid?
3,4-diamino-2-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 3,4-diamino-2-methylbutanoic acid is sourced from PubChem (CID 19798913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).