2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid

C14H29NO4 — CID 112589153

IUPAC2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
SMILESCCNC(C)(CC(C)OCCOC(C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO4/c1-7-15-14(6,12(16)17)10-11(2)18-8-9-19-13(3,4)5/h11,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyMJFVYHZREHKLAB-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.05
Rot. Bonds9

About 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid

2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid (PubChem CID 112589153) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
PubChem CID112589153
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
SMILESCCNC(C)(CC(C)OCCOC(C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO4/c1-7-15-14(6,12(16)17)10-11(2)18-8-9-19-13(3,4)5/h11,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyMJFVYHZREHKLAB-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid (CID 112589153) is 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid is CCNC(C)(CC(C)OCCOC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
The InChIKey is MJFVYHZREHKLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-7-15-14(6,12(16)17)10-11(2)18-8-9-19-13(3,4)5/h11,15H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid?
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid is sourced from PubChem (CID 112589153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).