(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid

C8H15NO3 — CID 118048364

IUPAC(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyZUHZFVOAIPFHIC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.61
Rot. Bonds3

About (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid

(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid (PubChem CID 118048364) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid
PubChem CID118048364
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyZUHZFVOAIPFHIC-UHFFFAOYSA-N
XLogP0.61
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid (CID 118048364) is (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid?
The InChIKey is ZUHZFVOAIPFHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H2,9,10)(H,11,12).
What are the key properties of (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid?
(2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-amino-2-oxoethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 118048364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).