2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid

C9H17NO4 — CID 139777185

IUPAC2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)7(13)8(14)10(4)5-6(11)12/h7,13H,5H2,1-4H3,(H,11,12)
InChIKeyXXRFYOMMVFDVEF-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid

2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid (PubChem CID 139777185) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
PubChem CID139777185
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(O)C(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)7(13)8(14)10(4)5-6(11)12/h7,13H,5H2,1-4H3,(H,11,12)
InChIKeyXXRFYOMMVFDVEF-UHFFFAOYSA-N
XLogP-0.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid (CID 139777185) is 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C(O)C(C)(C)C.
What is the InChIKey of 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid?
The InChIKey is XXRFYOMMVFDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)7(13)8(14)10(4)5-6(11)12/h7,13H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid?
2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid has a molecular weight of 203.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid is sourced from PubChem (CID 139777185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).