methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate

C15H30N2O2 — CID 62205787

IUPACmethyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate
SMILESCCCC1CCN(CCCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-6-13-7-11-17(12-8-13)10-5-9-15(2,16)14(18)19-3/h13H,4-12,16H2,1-3H3
InChIKeyFXKCAANBPNTPAL-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds7

About methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate

methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate (PubChem CID 62205787) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate
PubChem CID62205787
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate
SMILESCCCC1CCN(CCCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-6-13-7-11-17(12-8-13)10-5-9-15(2,16)14(18)19-3/h13H,4-12,16H2,1-3H3
InChIKeyFXKCAANBPNTPAL-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate (CID 62205787) is methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate is CCCC1CCN(CCCC(C)(N)C(=O)OC)CC1.
What is the InChIKey of methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate?
The InChIKey is FXKCAANBPNTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-6-13-7-11-17(12-8-13)10-5-9-15(2,16)14(18)19-3/h13H,4-12,16H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate?
methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 62205787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).