3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid

C13H23NO3 — CID 107000352

IUPAC3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1(C)CC1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-12(2,3)14(7-6-10(15)16)11(17)9-8-13(9,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyCEEBXCTUPYQKDQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds4

About 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid

3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 107000352) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID107000352
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1(C)CC1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-12(2,3)14(7-6-10(15)16)11(17)9-8-13(9,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyCEEBXCTUPYQKDQ-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid (CID 107000352) is 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid is CC1(C)CC1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is CEEBXCTUPYQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)14(7-6-10(15)16)11(17)9-8-13(9,4)5/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid?
3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107000352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).