2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid

C12H22N2O3 — CID 79854038

IUPAC2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CC1(N)CCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-14(11(2,3)10(16)17)9(15)8-12(13)6-5-7-12/h4-8,13H2,1-3H3,(H,16,17)
InChIKeyPOYWGSRZEILLDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds5

About 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 79854038) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID79854038
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CC1(N)CCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-14(11(2,3)10(16)17)9(15)8-12(13)6-5-7-12/h4-8,13H2,1-3H3,(H,16,17)
InChIKeyPOYWGSRZEILLDW-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid (CID 79854038) is 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)CC1(N)CCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is POYWGSRZEILLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(11(2,3)10(16)17)9(15)8-12(13)6-5-7-12/h4-8,13H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79854038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).