methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate

C16H30N2O2 — CID 114596367

IUPACmethyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(CCN1CC(C)CC(C)C1C)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-11-9-12(2)13(3)18(10-11)8-7-15(16(19)20-4)17-14-5-6-14/h11-15,17H,5-10H2,1-4H3
InChIKeyIGFNBWYFVGUOAI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate

methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate (PubChem CID 114596367) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
PubChem CID114596367
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(CCN1CC(C)CC(C)C1C)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-11-9-12(2)13(3)18(10-11)8-7-15(16(19)20-4)17-14-5-6-14/h11-15,17H,5-10H2,1-4H3
InChIKeyIGFNBWYFVGUOAI-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate (CID 114596367) is methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate is COC(=O)C(CCN1CC(C)CC(C)C1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate?
The InChIKey is IGFNBWYFVGUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11-9-12(2)13(3)18(10-11)8-7-15(16(19)20-4)17-14-5-6-14/h11-15,17H,5-10H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate?
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate is sourced from PubChem (CID 114596367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).