2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride

C12H25ClN2O3 — CID 120991463

IUPAC2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CC(C)(OC)C1(C)C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-11(2)9(6-12(11,3)17-5)14-10(15)8(13)7-16-4;/h8-9H,6-7,13H2,1-5H3,(H,14,15);1H
InChIKeyJQRKAUWKGFVRMD-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.70
Rot. Bonds5

About 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride

2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride (PubChem CID 120991463) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
PubChem CID120991463
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CC(C)(OC)C1(C)C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-11(2)9(6-12(11,3)17-5)14-10(15)8(13)7-16-4;/h8-9H,6-7,13H2,1-5H3,(H,14,15);1H
InChIKeyJQRKAUWKGFVRMD-UHFFFAOYSA-N
XLogP0.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-methylpentanamide;hydrochloride
CID 119817970
(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343207
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
CID 95906448
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-amino-3-methoxy-N-[2-(2-methoxyphenyl)-2-methylcyclopropyl]propanamide
CID 120990745
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
CID 119817936
(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343223
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985
(2R)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 129428982

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride (CID 120991463) is 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride is COCC(N)C(=O)NC1CC(C)(OC)C1(C)C.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride?
The InChIKey is JQRKAUWKGFVRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-11(2)9(6-12(11,3)17-5)14-10(15)8(13)7-16-4;/h8-9H,6-7,13H2,1-5H3,(H,14,15);1H.
What are the key properties of 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride?
2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride is sourced from PubChem (CID 120991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).