4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid

C8H18N2O2 — CID 10487469

IUPAC4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid
SMILESCC(C)(CN)C(C)(CN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-7(2,4-9)8(3,5-10)6(11)12/h4-5,9-10H2,1-3H3,(H,11,12)
InChIKeySYTWQUIZAHKNBY-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid

4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid (PubChem CID 10487469) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid
PubChem CID10487469
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid
SMILESCC(C)(CN)C(C)(CN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-7(2,4-9)8(3,5-10)6(11)12/h4-5,9-10H2,1-3H3,(H,11,12)
InChIKeySYTWQUIZAHKNBY-UHFFFAOYSA-N
XLogP0.02
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid?
The IUPAC name of 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid (CID 10487469) is 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid.
What is the SMILES notation for 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid?
The canonical SMILES for 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid is CC(C)(CN)C(C)(CN)C(=O)O.
What is the InChIKey of 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid?
The InChIKey is SYTWQUIZAHKNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2,4-9)8(3,5-10)6(11)12/h4-5,9-10H2,1-3H3,(H,11,12).
What are the key properties of 4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid?
4-amino-2-(aminomethyl)-2,3,3-trimethylbutanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.02, 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)-2,3,3-trimethylbutanoic acid is sourced from PubChem (CID 10487469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).