(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid

C13H24N2O3 — CID 88728656

IUPAC(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid
SMILESC/C(=N/NCCOCCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-11(13(16)17)15-14-8-10-18-9-7-12-5-3-2-4-6-12/h12,14H,2-10H2,1H3,(H,16,17)/b15-11-
InChIKeyWOSGYZLRUBWZHK-PTNGSMBKSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds8

About (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid

(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid (PubChem CID 88728656) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid
PubChem CID88728656
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid
SMILESC/C(=N/NCCOCCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-11(13(16)17)15-14-8-10-18-9-7-12-5-3-2-4-6-12/h12,14H,2-10H2,1H3,(H,16,17)/b15-11-
InChIKeyWOSGYZLRUBWZHK-PTNGSMBKSA-N
XLogP2.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[2-(2-ethoxyethoxy)ethylhydrazinylidene]propanoic acid
CID 88624650
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
CID 114158070
(2Z)-2-(5-ethoxypentylhydrazinylidene)propanoic acid
CID 88728168
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
2-(2-cyclobutylethoxymethyl)prop-2-enoic acid
CID 106199338
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
2-cyclopentylethyl methyl carbonate
CID 66771150
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
4-(2-cyclohexylethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991351
bis(2-cyclopentylethyl) propanedioate
CID 67140627

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid (CID 88728656) is (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid is C/C(=N/NCCOCCC1CCCCC1)C(=O)O.
What is the InChIKey of (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid?
The InChIKey is WOSGYZLRUBWZHK-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(13(16)17)15-14-8-10-18-9-7-12-5-3-2-4-6-12/h12,14H,2-10H2,1H3,(H,16,17)/b15-11-.
What are the key properties of (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid?
(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid is sourced from PubChem (CID 88728656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).