ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate

C15H30N2O3 — CID 64711971

IUPACethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCC(OCC)CC1
InChIInChI=1S/C15H30N2O3/c1-5-19-13-7-9-17(10-8-13)12(3)11-15(4,16)14(18)20-6-2/h12-13H,5-11,16H2,1-4H3
InChIKeyKWKRASOKLUCZQS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.55
Rot. Bonds7

About ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate

ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate (PubChem CID 64711971) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
PubChem CID64711971
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)N1CCC(OCC)CC1
InChIInChI=1S/C15H30N2O3/c1-5-19-13-7-9-17(10-8-13)12(3)11-15(4,16)14(18)20-6-2/h12-13H,5-11,16H2,1-4H3
InChIKeyKWKRASOKLUCZQS-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
CID 64727482
ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 64702655
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
ethyl 2-amino-4-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoate
CID 64711362
4-(4-ethoxypiperidin-1-yl)pentan-2-amine
CID 64707608
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate (CID 64711971) is ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)N1CCC(OCC)CC1.
What is the InChIKey of ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate?
The InChIKey is KWKRASOKLUCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-19-13-7-9-17(10-8-13)12(3)11-15(4,16)14(18)20-6-2/h12-13H,5-11,16H2,1-4H3.
What are the key properties of ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate?
ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 64711971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).