2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid

C10H17NO3 — CID 5458250

IUPAC2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
SMILESC/C(=N\O)C1CC(CC(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-6(11-14)8-4-7(5-9(12)13)10(8,2)3/h7-8,14H,4-5H2,1-3H3,(H,12,13)/b11-6+
InChIKeyINCRTJCZZQLOSX-IZZDOVSWSA-N
MW199.25 g/mol
LogP1.97
Rot. Bonds3

About 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid

2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid (PubChem CID 5458250) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
PubChem CID5458250
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
SMILESC/C(=N\O)C1CC(CC(=O)O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-6(11-14)8-4-7(5-9(12)13)10(8,2)3/h7-8,14H,4-5H2,1-3H3,(H,12,13)/b11-6+
InChIKeyINCRTJCZZQLOSX-IZZDOVSWSA-N
XLogP1.97
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid (CID 5458250) is 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid is C/C(=N\O)C1CC(CC(=O)O)C1(C)C.
What is the InChIKey of 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid?
The InChIKey is INCRTJCZZQLOSX-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(11-14)8-4-7(5-9(12)13)10(8,2)3/h7-8,14H,4-5H2,1-3H3,(H,12,13)/b11-6+.
What are the key properties of 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid?
2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid is sourced from PubChem (CID 5458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).