3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride

C11H23ClN2O2 — CID 119817878

IUPAC3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
SMILESCOC1CC(NC(=O)CC(C)N)C1(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-7(12)5-10(14)13-8-6-9(15-4)11(8,2)3;/h7-9H,5-6,12H2,1-4H3,(H,13,14);1H
InChIKeyZXDCUMFQSPFUDV-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride

3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride (PubChem CID 119817878) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
PubChem CID119817878
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
SMILESCOC1CC(NC(=O)CC(C)N)C1(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-7(12)5-10(14)13-8-6-9(15-4)11(8,2)3;/h7-9H,5-6,12H2,1-4H3,(H,13,14);1H
InChIKeyZXDCUMFQSPFUDV-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride (CID 119817878) is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride is COC1CC(NC(=O)CC(C)N)C1(C)C.Cl.
What is the InChIKey of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride?
The InChIKey is ZXDCUMFQSPFUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-7(12)5-10(14)13-8-6-9(15-4)11(8,2)3;/h7-9H,5-6,12H2,1-4H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride?
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride is sourced from PubChem (CID 119817878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).