2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid

C14H25NO5 — CID 21256863

IUPAC2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)N(C=O)OC1CCCCO1
InChIInChI=1S/C14H25NO5/c1-10(2)8-12(14(17)18)11(3)15(9-16)20-13-6-4-5-7-19-13/h9-13H,4-8H2,1-3H3,(H,17,18)
InChIKeyCASDLLKLNPPVFZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.04
Rot. Bonds8

About 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid

2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid (PubChem CID 21256863) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid
PubChem CID21256863
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)N(C=O)OC1CCCCO1
InChIInChI=1S/C14H25NO5/c1-10(2)8-12(14(17)18)11(3)15(9-16)20-13-6-4-5-7-19-13/h9-13H,4-8H2,1-3H3,(H,17,18)
InChIKeyCASDLLKLNPPVFZ-UHFFFAOYSA-N
XLogP2.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid?
The IUPAC name of 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid (CID 21256863) is 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)C(C)N(C=O)OC1CCCCO1.
What is the InChIKey of 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid?
The InChIKey is CASDLLKLNPPVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-10(2)8-12(14(17)18)11(3)15(9-16)20-13-6-4-5-7-19-13/h9-13H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid?
2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[formyl(oxan-2-yloxy)amino]ethyl]-4-methylpentanoic acid is sourced from PubChem (CID 21256863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).