(2E)-2-(cyclohexylmethoxyimino)propanoic acid

C10H17NO3 — CID 137333413

IUPAC(2E)-2-(cyclohexylmethoxyimino)propanoic acid
SMILESC/C(=N\OCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+
InChIKeyVMKPCUFTONEHQQ-DHZHZOJOSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds4

About (2E)-2-(cyclohexylmethoxyimino)propanoic acid

(2E)-2-(cyclohexylmethoxyimino)propanoic acid (PubChem CID 137333413) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2E)-2-(cyclohexylmethoxyimino)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(cyclohexylmethoxyimino)propanoic acid
PubChem CID137333413
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2E)-2-(cyclohexylmethoxyimino)propanoic acid
SMILESC/C(=N\OCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+
InChIKeyVMKPCUFTONEHQQ-DHZHZOJOSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cyclohexylmethoxyimino)propanoic acid?
The IUPAC name of (2E)-2-(cyclohexylmethoxyimino)propanoic acid (CID 137333413) is (2E)-2-(cyclohexylmethoxyimino)propanoic acid.
What is the SMILES notation for (2E)-2-(cyclohexylmethoxyimino)propanoic acid?
The canonical SMILES for (2E)-2-(cyclohexylmethoxyimino)propanoic acid is C/C(=N\OCC1CCCCC1)C(=O)O.
What is the InChIKey of (2E)-2-(cyclohexylmethoxyimino)propanoic acid?
The InChIKey is VMKPCUFTONEHQQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+.
What are the key properties of (2E)-2-(cyclohexylmethoxyimino)propanoic acid?
(2E)-2-(cyclohexylmethoxyimino)propanoic 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 (2E)-2-(cyclohexylmethoxyimino)propanoic acid is sourced from PubChem (CID 137333413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).