2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid

C15H29NO4 — CID 106806747

IUPAC2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCOC1CCOCC1)C(=O)O
InChIInChI=1S/C15H29NO4/c1-3-9-16-15(4-2,14(17)18)8-5-10-20-13-6-11-19-12-7-13/h13,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyFHFPSPMERKNFGJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.20
Rot. Bonds10

About 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid

2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid (PubChem CID 106806747) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
PubChem CID106806747
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCOC1CCOCC1)C(=O)O
InChIInChI=1S/C15H29NO4/c1-3-9-16-15(4-2,14(17)18)8-5-10-20-13-6-11-19-12-7-13/h13,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyFHFPSPMERKNFGJ-UHFFFAOYSA-N
XLogP2.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
CID 65259719
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid (CID 106806747) is 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCOC1CCOCC1)C(=O)O.
What is the InChIKey of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid?
The InChIKey is FHFPSPMERKNFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-3-9-16-15(4-2,14(17)18)8-5-10-20-13-6-11-19-12-7-13/h13,16H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid?
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid has a molecular weight of 287.40 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).