2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid

C14H27NO4 — CID 106807068

IUPAC2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCOC1CCOC1)(NC(C)C)C(=O)O
InChIInChI=1S/C14H27NO4/c1-4-14(13(16)17,15-11(2)3)7-5-8-19-12-6-9-18-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyOYJWDMBGIYGOLW-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.80
Rot. Bonds9

About 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid

2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106807068) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
PubChem CID106807068
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCOC1CCOC1)(NC(C)C)C(=O)O
InChIInChI=1S/C14H27NO4/c1-4-14(13(16)17,15-11(2)3)7-5-8-19-12-6-9-18-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyOYJWDMBGIYGOLW-UHFFFAOYSA-N
XLogP1.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.80
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

2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
CID 106805798
2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
CID 65259719
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
2-ethyl-5-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid (CID 106807068) is 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid is CCC(CCCOC1CCOC1)(NC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is OYJWDMBGIYGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-14(13(16)17,15-11(2)3)7-5-8-19-12-6-9-18-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid?
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106807068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).