5-(ethylamino)-2-oxopent-3-enoic acid

C7H11NO3 — CID 87184539

IUPAC5-(ethylamino)-2-oxopent-3-enoic acid
SMILESCCNCC=CC(=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-8-5-3-4-6(9)7(10)11/h3-4,8H,2,5H2,1H3,(H,10,11)
InChIKeyIOQZTPOACXDOKX-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.19
Rot. Bonds5

About 5-(ethylamino)-2-oxopent-3-enoic acid

5-(ethylamino)-2-oxopent-3-enoic acid (PubChem CID 87184539) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-(ethylamino)-2-oxopent-3-enoic acid.

Molecular Properties

Compound Name5-(ethylamino)-2-oxopent-3-enoic acid
PubChem CID87184539
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-(ethylamino)-2-oxopent-3-enoic acid
SMILESCCNCC=CC(=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-8-5-3-4-6(9)7(10)11/h3-4,8H,2,5H2,1H3,(H,10,11)
InChIKeyIOQZTPOACXDOKX-UHFFFAOYSA-N
XLogP-0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-oxopent-3-enoic acid?
The IUPAC name of 5-(ethylamino)-2-oxopent-3-enoic acid (CID 87184539) is 5-(ethylamino)-2-oxopent-3-enoic acid.
What is the SMILES notation for 5-(ethylamino)-2-oxopent-3-enoic acid?
The canonical SMILES for 5-(ethylamino)-2-oxopent-3-enoic acid is CCNCC=CC(=O)C(=O)O.
What is the InChIKey of 5-(ethylamino)-2-oxopent-3-enoic acid?
The InChIKey is IOQZTPOACXDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-8-5-3-4-6(9)7(10)11/h3-4,8H,2,5H2,1H3,(H,10,11).
What are the key properties of 5-(ethylamino)-2-oxopent-3-enoic acid?
5-(ethylamino)-2-oxopent-3-enoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-oxopent-3-enoic acid is sourced from PubChem (CID 87184539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).