4-(ethylamino)-3-oxobutanoic acid

C6H11NO3 — CID 150854585

IUPAC4-(ethylamino)-3-oxobutanoic acid
SMILESCCNCC(=O)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-2-7-4-5(8)3-6(9)10/h7H,2-4H2,1H3,(H,9,10)
InChIKeyKQSXSGIJFOCUAV-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds5

About 4-(ethylamino)-3-oxobutanoic acid

4-(ethylamino)-3-oxobutanoic acid (PubChem CID 150854585) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-(ethylamino)-3-oxobutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-3-oxobutanoic acid
PubChem CID150854585
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-(ethylamino)-3-oxobutanoic acid
SMILESCCNCC(=O)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-2-7-4-5(8)3-6(9)10/h7H,2-4H2,1H3,(H,9,10)
InChIKeyKQSXSGIJFOCUAV-UHFFFAOYSA-N
XLogP-0.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-oxobutanoic acid?
The IUPAC name of 4-(ethylamino)-3-oxobutanoic acid (CID 150854585) is 4-(ethylamino)-3-oxobutanoic acid.
What is the SMILES notation for 4-(ethylamino)-3-oxobutanoic acid?
The canonical SMILES for 4-(ethylamino)-3-oxobutanoic acid is CCNCC(=O)CC(=O)O.
What is the InChIKey of 4-(ethylamino)-3-oxobutanoic acid?
The InChIKey is KQSXSGIJFOCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-7-4-5(8)3-6(9)10/h7H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-(ethylamino)-3-oxobutanoic acid?
4-(ethylamino)-3-oxobutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-oxobutanoic acid is sourced from PubChem (CID 150854585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).