2-(3,3-dimethylbutanoylamino)acetic acid

C8H15NO3 — CID 2818292

IUPAC2-(3,3-dimethylbutanoylamino)acetic acid
SMILESCC(C)(C)CC(=O)NCC(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,3)4-6(10)9-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyCKPFPZCUQJFSPF-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds3

About 2-(3,3-dimethylbutanoylamino)acetic acid

2-(3,3-dimethylbutanoylamino)acetic acid (PubChem CID 2818292) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)acetic acid
PubChem CID2818292
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3,3-dimethylbutanoylamino)acetic acid
SMILESCC(C)(C)CC(=O)NCC(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,3)4-6(10)9-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyCKPFPZCUQJFSPF-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutyrylglycine
CID 193872
Isobutyrylglycine
CID 10855600
Butyrylglycine
CID 88412
N-Isovaleroylglycine
CID 546304
Propionylglycine
CID 98681
Methyl N-isovalerylglycine
CID 533941
2-Pivalamidoacetic acid
CID 2608784
2-(4-Methylpentanamido)acetic acid
CID 28777652
N-(3-Methyl-1-oxobutyl)-L-alanine
CID 129285
(2R)-2-acetamido-3,3-dimethylbutanoic acid
CID 11206053
(2S)-2-acetamido-3,3-dimethylbutanoic acid
CID 11469346
sodium (2R)-3,3-dimethyl-2-(2-methylbutanoylamino)butanoate
CID 44321482

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)acetic acid?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)acetic acid (CID 2818292) is 2-(3,3-dimethylbutanoylamino)acetic acid.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)acetic acid?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)acetic acid is CC(C)(C)CC(=O)NCC(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)acetic acid?
The InChIKey is CKPFPZCUQJFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)4-6(10)9-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-(3,3-dimethylbutanoylamino)acetic acid?
2-(3,3-dimethylbutanoylamino)acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)acetic acid is sourced from PubChem (CID 2818292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).