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

C6H14N2O2 — CID 10749321

IUPAC4-amino-2-(aminomethyl)-2-methylbutanoic acid
SMILESCC(CN)(CCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(4-8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyBBXANPNZVCFMHB-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.62
Rot. Bonds4

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

4-amino-2-(aminomethyl)-2-methylbutanoic acid (PubChem CID 10749321) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-2-methylbutanoic acid
PubChem CID10749321
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name4-amino-2-(aminomethyl)-2-methylbutanoic acid
SMILESCC(CN)(CCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(4-8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyBBXANPNZVCFMHB-UHFFFAOYSA-N
XLogP-0.62
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 ≤ 5-0.62
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)-2-methylbutanoic acid?
The IUPAC name of 4-amino-2-(aminomethyl)-2-methylbutanoic acid (CID 10749321) is 4-amino-2-(aminomethyl)-2-methylbutanoic acid.
What is the SMILES notation for 4-amino-2-(aminomethyl)-2-methylbutanoic acid?
The canonical SMILES for 4-amino-2-(aminomethyl)-2-methylbutanoic acid is CC(CN)(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-(aminomethyl)-2-methylbutanoic acid?
The InChIKey is BBXANPNZVCFMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(4-8,2-3-7)5(9)10/h2-4,7-8H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-(aminomethyl)-2-methylbutanoic acid?
4-amino-2-(aminomethyl)-2-methylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.62, 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)-2-methylbutanoic acid is sourced from PubChem (CID 10749321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).