4-amino-3,3-dimethylbutanoic acid

C6H13NO2 — CID 910834

IUPAC4-amino-3,3-dimethylbutanoic acid
SMILESCC(C)(CN)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,4-7)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyBDEGNHSSXDSZRQ-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-3,3-dimethylbutanoic acid

4-amino-3,3-dimethylbutanoic acid (PubChem CID 910834) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-amino-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-3,3-dimethylbutanoic acid
PubChem CID910834
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-amino-3,3-dimethylbutanoic acid
SMILESCC(C)(CN)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-6(2,4-7)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyBDEGNHSSXDSZRQ-UHFFFAOYSA-N
XLogP0.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethylbutanoic acid?
The IUPAC name of 4-amino-3,3-dimethylbutanoic acid (CID 910834) is 4-amino-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-amino-3,3-dimethylbutanoic acid is CC(C)(CN)CC(=O)O.
What is the InChIKey of 4-amino-3,3-dimethylbutanoic acid?
The InChIKey is BDEGNHSSXDSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,4-7)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 4-amino-3,3-dimethylbutanoic acid?
4-amino-3,3-dimethylbutanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethylbutanoic acid is sourced from PubChem (CID 910834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).