5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid

C16H31NO3 — CID 106806896

IUPAC5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C16H31NO3/c1-3-12-17-16(4-2,15(18)19)11-8-13-20-14-9-6-5-7-10-14/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyVVSPQRUYYZIJFS-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.35
Rot. Bonds10

About 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid

5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid (PubChem CID 106806896) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
PubChem CID106806896
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C16H31NO3/c1-3-12-17-16(4-2,15(18)19)11-8-13-20-14-9-6-5-7-10-14/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyVVSPQRUYYZIJFS-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
CID 106806735
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806133
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid (CID 106806896) is 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCOC1CCCCC1)C(=O)O.
What is the InChIKey of 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid?
The InChIKey is VVSPQRUYYZIJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-12-17-16(4-2,15(18)19)11-8-13-20-14-9-6-5-7-10-14/h14,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid?
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).