2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid

C14H29NO4 — CID 106807155

IUPAC2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
SMILESCCC(CCCOCCOC(C)(C)C)(NC)C(=O)O
InChIInChI=1S/C14H29NO4/c1-6-14(15-5,12(16)17)8-7-9-18-10-11-19-13(2,3)4/h15H,6-11H2,1-5H3,(H,16,17)
InChIKeyNBBWHGSLUIMVEL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.05
Rot. Bonds10

About 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid

2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid (PubChem CID 106807155) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
PubChem CID106807155
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
SMILESCCC(CCCOCCOC(C)(C)C)(NC)C(=O)O
InChIInChI=1S/C14H29NO4/c1-6-14(15-5,12(16)17)8-7-9-18-10-11-19-13(2,3)4/h15H,6-11H2,1-5H3,(H,16,17)
InChIKeyNBBWHGSLUIMVEL-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.05
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-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
CID 106714396
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
CID 112589029
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid (CID 106807155) is 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid is CCC(CCCOCCOC(C)(C)C)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The InChIKey is NBBWHGSLUIMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-6-14(15-5,12(16)17)8-7-9-18-10-11-19-13(2,3)4/h15H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid is sourced from PubChem (CID 106807155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).