4-amino-2-(aminomethyl)-3-methylbutanoic acid

C6H14N2O2 — CID 10080534

IUPAC4-amino-2-(aminomethyl)-3-methylbutanoic acid
SMILESCC(CN)C(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyYPEXLZVHIICQKL-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.76
Rot. Bonds4

About 4-amino-2-(aminomethyl)-3-methylbutanoic acid

4-amino-2-(aminomethyl)-3-methylbutanoic acid (PubChem CID 10080534) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-3-methylbutanoic acid
PubChem CID10080534
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name4-amino-2-(aminomethyl)-3-methylbutanoic acid
SMILESCC(CN)C(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyYPEXLZVHIICQKL-UHFFFAOYSA-N
XLogP-0.76
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The IUPAC name of 4-amino-2-(aminomethyl)-3-methylbutanoic acid (CID 10080534) is 4-amino-2-(aminomethyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The canonical SMILES for 4-amino-2-(aminomethyl)-3-methylbutanoic acid is CC(CN)C(CN)C(=O)O.
What is the InChIKey of 4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The InChIKey is YPEXLZVHIICQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-(aminomethyl)-3-methylbutanoic acid?
4-amino-2-(aminomethyl)-3-methylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)-3-methylbutanoic acid is sourced from PubChem (CID 10080534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).