ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate

C13H26N2O2 — CID 102538625

IUPACethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
SMILESCCOC(=O)C(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(3,11(14)12(16)17-5-2)15-9-7-6-8-10-15/h11H,4-10,14H2,1-3H3
InChIKeyZHXJDVYDYSMPDL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds5

About ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate

ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate (PubChem CID 102538625) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
PubChem CID102538625
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
SMILESCCOC(=O)C(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(3,11(14)12(16)17-5-2)15-9-7-6-8-10-15/h11H,4-10,14H2,1-3H3
InChIKeyZHXJDVYDYSMPDL-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate?
The IUPAC name of ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate (CID 102538625) is ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate.
What is the SMILES notation for ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate?
The canonical SMILES for ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate is CCOC(=O)C(N)C(C)(CC)N1CCCCC1.
What is the InChIKey of ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate?
The InChIKey is ZHXJDVYDYSMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(3,11(14)12(16)17-5-2)15-9-7-6-8-10-15/h11H,4-10,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate?
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate is sourced from PubChem (CID 102538625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).