2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid

C10H17NO3 — CID 167352411

IUPAC2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid
SMILESCC1CCC/C1=N\OC(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-5-4-6-8(7)11-14-10(2,3)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)/b11-8+
InChIKeyQFQAJPYSNKRFPL-DHZHZOJOSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid

2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid (PubChem CID 167352411) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid
PubChem CID167352411
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid
SMILESCC1CCC/C1=N\OC(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-5-4-6-8(7)11-14-10(2,3)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)/b11-8+
InChIKeyQFQAJPYSNKRFPL-DHZHZOJOSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid (CID 167352411) is 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid is CC1CCC/C1=N\OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid?
The InChIKey is QFQAJPYSNKRFPL-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-4-6-8(7)11-14-10(2,3)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)/b11-8+.
What are the key properties of 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid?
2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid is sourced from PubChem (CID 167352411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).