tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid

C13H24N2O4 — CID 87273769

IUPACtert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid
SMILESC=CCC(C(=O)N(CC)OC)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-7-9-10(11(16)14(8-2)19-6)15(12(17)18)13(3,4)5/h7,10H,1,8-9H2,2-6H3,(H,17,18)
InChIKeyFHEHRDBCTGBIRS-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.12
Rot. Bonds6

About tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid

tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid (PubChem CID 87273769) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid
PubChem CID87273769
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid
SMILESC=CCC(C(=O)N(CC)OC)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-7-9-10(11(16)14(8-2)19-6)15(12(17)18)13(3,4)5/h7,10H,1,8-9H2,2-6H3,(H,17,18)
InChIKeyFHEHRDBCTGBIRS-UHFFFAOYSA-N
XLogP2.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid (CID 87273769) is tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid is C=CCC(C(=O)N(CC)OC)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid?
The InChIKey is FHEHRDBCTGBIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-7-9-10(11(16)14(8-2)19-6)15(12(17)18)13(3,4)5/h7,10H,1,8-9H2,2-6H3,(H,17,18).
What are the key properties of tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid?
tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid has a molecular weight of 272.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[ethyl(methoxy)amino]-1-oxopent-4-en-2-yl]carbamic acid is sourced from PubChem (CID 87273769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).