3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid

C12H22N2O3 — CID 81168617

IUPAC3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1(N)CCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-10(2,9(16)17)11(3,4)14-8(15)12(13)6-5-7-12/h5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyTXZUSGXNLPWSLC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds4

About 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 81168617) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID81168617
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C1(N)CCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-10(2,9(16)17)11(3,4)14-8(15)12(13)6-5-7-12/h5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyTXZUSGXNLPWSLC-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 81168617) is 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)C1(N)CCC1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is TXZUSGXNLPWSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2,9(16)17)11(3,4)14-8(15)12(13)6-5-7-12/h5-7,13H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclobutanecarbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 81168617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).