(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate

C14H29NO3 — CID 165041539

IUPAC(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
SMILESCCOC(C)(C)CC(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C14H29NO3/c1-8-17-13(4,5)9-11(16)18-14(6,7)10-12(2,3)15/h8-10,15H2,1-7H3
InChIKeyOEZQXNCNIDGLPW-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.64
Rot. Bonds7

About (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate

(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate (PubChem CID 165041539) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate.

Molecular Properties

Compound Name(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
PubChem CID165041539
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
SMILESCCOC(C)(C)CC(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C14H29NO3/c1-8-17-13(4,5)9-11(16)18-14(6,7)10-12(2,3)15/h8-10,15H2,1-7H3
InChIKeyOEZQXNCNIDGLPW-UHFFFAOYSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
CID 163508677
2-methylbutan-2-yl 4-amino-2,2,4-trimethylpentanoate
CID 123226965
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
bis(4-ethyl-2,4-dimethylhex-5-yn-2-yl) 3,3,5,5-tetramethylheptanedioate
CID 123215467
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
ethyl 2-cyano-6-ethoxy-3,3,6-trimethyl-4-oxoheptanoate
CID 154169016
methyl 3,3-diethoxybutanoate
CID 176648277
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate?
The IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate (CID 165041539) is (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate.
What is the SMILES notation for (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate?
The canonical SMILES for (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate is CCOC(C)(C)CC(=O)OC(C)(C)CC(C)(C)N.
What is the InChIKey of (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate?
The InChIKey is OEZQXNCNIDGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-8-17-13(4,5)9-11(16)18-14(6,7)10-12(2,3)15/h8-10,15H2,1-7H3.
What are the key properties of (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate?
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate has a molecular weight of 259.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate is sourced from PubChem (CID 165041539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).