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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642

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).