2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid

C9H17NO4 — CID 45122287

IUPAC2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(CO)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-8(2,5-11)6(12)10-9(3,4)7(13)14/h11H,5H2,1-4H3,(H,10,12)(H,13,14)
InChIKeyLQZVIPFQZQXEDU-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid

2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 45122287) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID45122287
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(CO)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-8(2,5-11)6(12)10-9(3,4)7(13)14/h11H,5H2,1-4H3,(H,10,12)(H,13,14)
InChIKeyLQZVIPFQZQXEDU-UHFFFAOYSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid (CID 45122287) is 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid is CC(C)(CO)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is LQZVIPFQZQXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2,5-11)6(12)10-9(3,4)7(13)14/h11H,5H2,1-4H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid?
2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 45122287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).