1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide

C9H18N2O3 — CID 114829312

IUPAC1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NO)C1(C)C
InChIInChI=1S/C9H18N2O3/c1-4-14-6-5-9(10,7(12)11-13)8(6,2)3/h6,13H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySZOFOPJAGFDBEB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.02
Rot. Bonds3

About 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829312) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829312
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NO)C1(C)C
InChIInChI=1S/C9H18N2O3/c1-4-14-6-5-9(10,7(12)11-13)8(6,2)3/h6,13H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySZOFOPJAGFDBEB-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 104979713
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide (CID 114829312) is 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NO)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is SZOFOPJAGFDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-6-5-9(10,7(12)11-13)8(6,2)3/h6,13H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).