2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid

C10H19NO3 — CID 103261405

IUPAC2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
SMILESCCC(=CCNOC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-8(9(12)13)6-7-11-14-10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13)
InChIKeyVWJZWIWKOVMTCN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid

2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid (PubChem CID 103261405) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid.

Molecular Properties

Compound Name2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
PubChem CID103261405
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
SMILESCCC(=CCNOC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-8(9(12)13)6-7-11-14-10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13)
InChIKeyVWJZWIWKOVMTCN-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid?
The IUPAC name of 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid (CID 103261405) is 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid.
What is the SMILES notation for 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid?
The canonical SMILES for 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid is CCC(=CCNOC(C)(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid?
The InChIKey is VWJZWIWKOVMTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(9(12)13)6-7-11-14-10(2,3)4/h6,11H,5,7H2,1-4H3,(H,12,13).
What are the key properties of 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid?
2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid is sourced from PubChem (CID 103261405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).