3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid

C11H19NO3 — CID 106703571

IUPAC3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2)5-7(10)8(13)12-6-11(3,4)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyAWCYXLZLCJKDOD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds4

About 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid

3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 106703571) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID106703571
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2)5-7(10)8(13)12-6-11(3,4)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyAWCYXLZLCJKDOD-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid (CID 106703571) is 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC1(C)C)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is AWCYXLZLCJKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)5-7(10)8(13)12-6-11(3,4)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106703571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).