2-[(4-propylcyclohexylidene)amino]oxyacetic acid

C11H19NO3 — CID 63929497

IUPAC2-[(4-propylcyclohexylidene)amino]oxyacetic acid
SMILESCCCC1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-9-4-6-10(7-5-9)12-15-8-11(13)14/h9H,2-8H2,1H3,(H,13,14)/b12-10-
InChIKeyIPGUSRXEUBEJJD-BENRWUELSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds5

About 2-[(4-propylcyclohexylidene)amino]oxyacetic acid

2-[(4-propylcyclohexylidene)amino]oxyacetic acid (PubChem CID 63929497) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4-propylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-propylcyclohexylidene)amino]oxyacetic acid
PubChem CID63929497
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(4-propylcyclohexylidene)amino]oxyacetic acid
SMILESCCCC1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-9-4-6-10(7-5-9)12-15-8-11(13)14/h9H,2-8H2,1H3,(H,13,14)/b12-10-
InChIKeyIPGUSRXEUBEJJD-BENRWUELSA-N
XLogP2.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.43
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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Related Compounds

2-[(E)-1-(1-methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500844
2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid
CID 167352363
2-[(E)-(1-cyclohexyl-4-methylpentylidene)amino]oxy-2-methylpropanoic acid
CID 177851996
2-[[4-(Trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
CID 64759783
2-[[3-(Trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
CID 77052943
2-(4-Methylpentan-2-ylideneamino)oxyacetic acid
CID 77013369
2-[1-(1-Methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500845
2-[(E)-3,3-dimethylhexan-2-ylideneamino]oxyacetic acid
CID 155055459
2-[(E)-1-cyclohexylethylideneamino]oxy-2-methylpropanoic acid
CID 167352416
2-[(4-Ethylcyclohexylidene)amino]oxyacetic acid
CID 63929078
2-[(4-Propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088
2-[(4-Methylcyclohexylidene)amino]oxyacetic acid
CID 63929929

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(4-propylcyclohexylidene)amino]oxyacetic acid (CID 63929497) is 2-[(4-propylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-propylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-propylcyclohexylidene)amino]oxyacetic acid is CCCC1CCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(4-propylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is IPGUSRXEUBEJJD-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-9-4-6-10(7-5-9)12-15-8-11(13)14/h9H,2-8H2,1H3,(H,13,14)/b12-10-.
What are the key properties of 2-[(4-propylcyclohexylidene)amino]oxyacetic acid?
2-[(4-propylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 213.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 63929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).