ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate

C15H30N2O2 — CID 64702655

IUPACethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(5,16)10-12(2)17-9-7-8-14(3,4)11-17/h12H,6-11,16H2,1-5H3
InChIKeyJLGHZFYZCPKCMU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate

ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate (PubChem CID 64702655) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
PubChem CID64702655
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(5,16)10-12(2)17-9-7-8-14(3,4)11-17/h12H,6-11,16H2,1-5H3
InChIKeyJLGHZFYZCPKCMU-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate
CID 64711362
methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 64702654
ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
CID 64711971
2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
CID 64703050
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 64702799
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
2-amino-2-methyl-4-pyrrolidin-1-ylpentanamide
CID 64726767
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate (CID 64702655) is ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)N1CCCC(C)(C)C1.
What is the InChIKey of ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate?
The InChIKey is JLGHZFYZCPKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-13(18)15(5,16)10-12(2)17-9-7-8-14(3,4)11-17/h12H,6-11,16H2,1-5H3.
What are the key properties of ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate?
ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 64702655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).