2-(tert-butylamino)-3-methylbutanoic acid

C9H19NO2 — CID 12837672

IUPAC2-(tert-butylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)
InChIKeyFLAMJKCIVJROHA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds3

About 2-(tert-butylamino)-3-methylbutanoic acid

2-(tert-butylamino)-3-methylbutanoic acid (PubChem CID 12837672) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-3-methylbutanoic acid
PubChem CID12837672
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(tert-butylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)
InChIKeyFLAMJKCIVJROHA-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(tert-butylamino)-3-methylbutanoic acid (CID 12837672) is 2-(tert-butylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(tert-butylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(tert-butylamino)-3-methylbutanoic acid is CC(C)C(NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-3-methylbutanoic acid?
The InChIKey is FLAMJKCIVJROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12).
What are the key properties of 2-(tert-butylamino)-3-methylbutanoic acid?
2-(tert-butylamino)-3-methylbutanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-methylbutanoic acid is sourced from PubChem (CID 12837672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).