3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

C12H21NO3 — CID 66477795

IUPAC3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-7(6-8(14)15)13-10(16)9-11(2,3)12(9,4)5/h7,9H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJVNHANYQBNARDD-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds4

About 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 66477795) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID66477795
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-7(6-8(14)15)13-10(16)9-11(2,3)12(9,4)5/h7,9H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJVNHANYQBNARDD-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (CID 66477795) is 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is JVNHANYQBNARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(6-8(14)15)13-10(16)9-11(2,3)12(9,4)5/h7,9H,6H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 66477795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).