2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid

C9H17NO4 — CID 16772791

IUPAC2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-5(11)6(7(12)13)10-8(14)9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)
InChIKeyPGNGLIMISXAPIR-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid

2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid (PubChem CID 16772791) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid
PubChem CID16772791
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-5(11)6(7(12)13)10-8(14)9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)
InChIKeyPGNGLIMISXAPIR-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid (CID 16772791) is 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid is CC(O)C(NC(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid?
The InChIKey is PGNGLIMISXAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(11)6(7(12)13)10-8(14)9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid?
2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 16772791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).