formamide;5-(2-methoxyethoxy)pentanoic acid

C9H19NO5 — CID 163225879

IUPACformamide;5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCCC(=O)O.NC=O
InChIInChI=1S/C8H16O4.CH3NO/c1-11-6-7-12-5-3-2-4-8(9)10;2-1-3/h2-7H2,1H3,(H,9,10);1H,(H2,2,3)
InChIKeyAZPGBKBCUYYYJV-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.01
Rot. Bonds8

About formamide;5-(2-methoxyethoxy)pentanoic acid

formamide;5-(2-methoxyethoxy)pentanoic acid (PubChem CID 163225879) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is formamide;5-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Nameformamide;5-(2-methoxyethoxy)pentanoic acid
PubChem CID163225879
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nameformamide;5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCCC(=O)O.NC=O
InChIInChI=1S/C8H16O4.CH3NO/c1-11-6-7-12-5-3-2-4-8(9)10;2-1-3/h2-7H2,1H3,(H,9,10);1H,(H2,2,3)
InChIKeyAZPGBKBCUYYYJV-UHFFFAOYSA-N
XLogP0.01
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxyheptoxy)butanoic acid
CID 15409527
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
4-(3-methoxypropoxy)butanoic acid
CID 60918159
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
8-(3-carboxypropoxy)octanoic acid
CID 154155651
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide
CID 171535955
15-pentoxypentadecanoic acid
CID 89280169
5-(3-methoxypropoxy)pentanamide
CID 135179275
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561

Frequently Asked Questions

What is the IUPAC name of formamide;5-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of formamide;5-(2-methoxyethoxy)pentanoic acid (CID 163225879) is formamide;5-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for formamide;5-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for formamide;5-(2-methoxyethoxy)pentanoic acid is COCCOCCCCC(=O)O.NC=O.
What is the InChIKey of formamide;5-(2-methoxyethoxy)pentanoic acid?
The InChIKey is AZPGBKBCUYYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.CH3NO/c1-11-6-7-12-5-3-2-4-8(9)10;2-1-3/h2-7H2,1H3,(H,9,10);1H,(H2,2,3).
What are the key properties of formamide;5-(2-methoxyethoxy)pentanoic acid?
formamide;5-(2-methoxyethoxy)pentanoic acid has a molecular weight of 221.25 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;5-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 163225879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).