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

C10H17NO3 — CID 63929078

IUPAC2-[(4-ethylcyclohexylidene)amino]oxyacetic acid
SMILESCCC1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-2-8-3-5-9(6-4-8)11-14-7-10(12)13/h8H,2-7H2,1H3,(H,12,13)/b11-9-
InChIKeySCIQADYWFFYDNN-LUAWRHEFSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds4

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

2-[(4-ethylcyclohexylidene)amino]oxyacetic acid (PubChem CID 63929078) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-ethylcyclohexylidene)amino]oxyacetic acid
PubChem CID63929078
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(4-ethylcyclohexylidene)amino]oxyacetic acid
SMILESCCC1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-2-8-3-5-9(6-4-8)11-14-7-10(12)13/h8H,2-7H2,1H3,(H,12,13)/b11-9-
InChIKeySCIQADYWFFYDNN-LUAWRHEFSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088
4-ethyl-N-methoxycyclohexan-1-imine
CID 88984726
2-[(1-propylpiperidin-4-ylidene)amino]oxyacetic acid
CID 63929500
2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
CID 77055405
2-[(3-methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
CID 64734999
2-[(3,3-dimethylcyclopentylidene)amino]oxyacetic acid
CID 80700054
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
CID 20845293
methyl 2-(4-methoxyiminocyclohexyl)acetate
CID 46236277
acetic acid;ethylcyclopropane
CID 175213909
2-aminoacetic acid;ethylcyclopropane
CID 144543522

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid (CID 63929078) is 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid is CCC1CCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is SCIQADYWFFYDNN-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8-3-5-9(6-4-8)11-14-7-10(12)13/h8H,2-7H2,1H3,(H,12,13)/b11-9-.
What are the key properties of 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid?
2-[(4-ethylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 199.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 63929078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).