2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid

C16H33NO3 — CID 106806801

IUPAC2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
SMILESCCCCC(CC)COCCCC(CC)(NC)C(=O)O
InChIInChI=1S/C16H33NO3/c1-5-8-10-14(6-2)13-20-12-9-11-16(7-3,17-4)15(18)19/h14,17H,5-13H2,1-4H3,(H,18,19)
InChIKeyZHGHFGIZJPCBDK-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.45
Rot. Bonds13

About 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid

2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid (PubChem CID 106806801) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
PubChem CID106806801
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
SMILESCCCCC(CC)COCCCC(CC)(NC)C(=O)O
InChIInChI=1S/C16H33NO3/c1-5-8-10-14(6-2)13-20-12-9-11-16(7-3,17-4)15(18)19/h14,17H,5-13H2,1-4H3,(H,18,19)
InChIKeyZHGHFGIZJPCBDK-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.45
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

5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-ethyl-2-(2-ethylhexoxy)butanoic acid
CID 114994393
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 55196096
5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 114208529
2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid (CID 106806801) is 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid is CCCCC(CC)COCCCC(CC)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid?
The InChIKey is ZHGHFGIZJPCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-5-8-10-14(6-2)13-20-12-9-11-16(7-3,17-4)15(18)19/h14,17H,5-13H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid?
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid has a molecular weight of 287.44 g/mol, XLogP of 3.45, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).