2-ethyl-2-formamidobutanoic acid

C7H13NO3 — CID 63689307

IUPAC2-ethyl-2-formamidobutanoic acid
SMILESCCC(CC)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-7(4-2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyQVHJIAPUHHMYNQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.38
Rot. Bonds5

About 2-ethyl-2-formamidobutanoic acid

2-ethyl-2-formamidobutanoic acid (PubChem CID 63689307) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-ethyl-2-formamidobutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-formamidobutanoic acid
PubChem CID63689307
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-ethyl-2-formamidobutanoic acid
SMILESCCC(CC)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-7(4-2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyQVHJIAPUHHMYNQ-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-formamidobutanoic acid?
The IUPAC name of 2-ethyl-2-formamidobutanoic acid (CID 63689307) is 2-ethyl-2-formamidobutanoic acid.
What is the SMILES notation for 2-ethyl-2-formamidobutanoic acid?
The canonical SMILES for 2-ethyl-2-formamidobutanoic acid is CCC(CC)(NC=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-formamidobutanoic acid?
The InChIKey is QVHJIAPUHHMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-7(4-2,6(10)11)8-5-9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-ethyl-2-formamidobutanoic acid?
2-ethyl-2-formamidobutanoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-formamidobutanoic acid is sourced from PubChem (CID 63689307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).