(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate

C15H27NO3 — CID 97318972

IUPAC(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate
SMILESCC(C)[C@H](C(=O)OCC1(C)COC1)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)13(16-7-5-4-6-8-16)14(17)19-11-15(3)9-18-10-15/h12-13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyKSBGZULOOQEKNA-CYBMUJFWSA-N
MW269.38 g/mol
LogP2.08
Rot. Bonds5

About (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate

(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate (PubChem CID 97318972) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate
PubChem CID97318972
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate
SMILESCC(C)[C@H](C(=O)OCC1(C)COC1)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)13(16-7-5-4-6-8-16)14(17)19-11-15(3)9-18-10-15/h12-13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyKSBGZULOOQEKNA-CYBMUJFWSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate (CID 97318972) is (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate is CC(C)[C@H](C(=O)OCC1(C)COC1)N1CCCCC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate?
The InChIKey is KSBGZULOOQEKNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)13(16-7-5-4-6-8-16)14(17)19-11-15(3)9-18-10-15/h12-13H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate?
(3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl (2R)-3-methyl-2-piperidin-1-ylbutanoate is sourced from PubChem (CID 97318972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).