5-aminooxypent-2-enoic acid

C5H9NO3 — CID 57274484

IUPAC5-aminooxypent-2-enoic acid
SMILESNOCCC=CC(=O)O
InChIInChI=1S/C5H9NO3/c6-9-4-2-1-3-5(7)8/h1,3H,2,4,6H2,(H,7,8)
InChIKeyNFOQEZLVTHOVDI-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.09
Rot. Bonds4

About 5-aminooxypent-2-enoic acid

5-aminooxypent-2-enoic acid (PubChem CID 57274484) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-aminooxypent-2-enoic acid.

Molecular Properties

Compound Name5-aminooxypent-2-enoic acid
PubChem CID57274484
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-aminooxypent-2-enoic acid
SMILESNOCCC=CC(=O)O
InChIInChI=1S/C5H9NO3/c6-9-4-2-1-3-5(7)8/h1,3H,2,4,6H2,(H,7,8)
InChIKeyNFOQEZLVTHOVDI-UHFFFAOYSA-N
XLogP-0.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.09
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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Related Compounds

(E)-5-acetyloxypent-2-enoic acid
CID 19026157
5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
CID 175090544
5-ethenoxypent-2-enoic acid
CID 173182638
5-butanoyloxypent-2-enoic acid
CID 162252615
5-phosphonooxypent-2-enoic acid
CID 87373940
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(E)-hex-2-enoic acid
CID 5282707
5-bromopent-2-enoic acid
CID 54205255
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(E)-5-bromopent-2-enoic acid
CID 19912723
hepta-2,5-dienedioic acid
CID 74058962
(E)-12-methoxydodec-2-enoic acid
CID 6473877

Frequently Asked Questions

What is the IUPAC name of 5-aminooxypent-2-enoic acid?
The IUPAC name of 5-aminooxypent-2-enoic acid (CID 57274484) is 5-aminooxypent-2-enoic acid.
What is the SMILES notation for 5-aminooxypent-2-enoic acid?
The canonical SMILES for 5-aminooxypent-2-enoic acid is NOCCC=CC(=O)O.
What is the InChIKey of 5-aminooxypent-2-enoic acid?
The InChIKey is NFOQEZLVTHOVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-9-4-2-1-3-5(7)8/h1,3H,2,4,6H2,(H,7,8).
What are the key properties of 5-aminooxypent-2-enoic acid?
5-aminooxypent-2-enoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxypent-2-enoic acid is sourced from PubChem (CID 57274484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).