2-cyano-5-(2-methoxyethoxy)pentanoic acid

C9H15NO4 — CID 163536414

IUPAC2-cyano-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(C#N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-13-5-6-14-4-2-3-8(7-10)9(11)12/h8H,2-6H2,1H3,(H,11,12)
InChIKeyDXIRBSBQVHTERD-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.65
Rot. Bonds8

About 2-cyano-5-(2-methoxyethoxy)pentanoic acid

2-cyano-5-(2-methoxyethoxy)pentanoic acid (PubChem CID 163536414) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-cyano-5-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-cyano-5-(2-methoxyethoxy)pentanoic acid
PubChem CID163536414
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-cyano-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(C#N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-13-5-6-14-4-2-3-8(7-10)9(11)12/h8H,2-6H2,1H3,(H,11,12)
InChIKeyDXIRBSBQVHTERD-UHFFFAOYSA-N
XLogP0.65
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,9-dicyanodecanedioic acid
CID 88775041
2-cyanoheptadecanoic acid
CID 87316675
azane;2-cyanoundecanoic acid
CID 174447184
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
2-[2-(2-methoxyethoxy)acetyl]propanedinitrile
CID 90789263
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
ethyl 2-cyano-5-(oxiran-2-ylmethoxy)pentanoate
CID 2832945
methyl 2-cyano-5-phenylmethoxypentanoate
CID 102226859
2-[3-(2-methoxyethoxy)propylsulfanyl]-3-methylbutanoic acid
CID 103408956
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of 2-cyano-5-(2-methoxyethoxy)pentanoic acid (CID 163536414) is 2-cyano-5-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-cyano-5-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for 2-cyano-5-(2-methoxyethoxy)pentanoic acid is COCCOCCCC(C#N)C(=O)O.
What is the InChIKey of 2-cyano-5-(2-methoxyethoxy)pentanoic acid?
The InChIKey is DXIRBSBQVHTERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-5-6-14-4-2-3-8(7-10)9(11)12/h8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-cyano-5-(2-methoxyethoxy)pentanoic acid?
2-cyano-5-(2-methoxyethoxy)pentanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 163536414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).