(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one

C15H20N2O3 — CID 826146

IUPAC(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
SMILESCCC[C@H]1C[C@](C)(C(=O)CNc2ccccn2)OC1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-,15+/m0/s1
InChIKeySKSMHQUWUQJHKP-XHDPSFHLSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds6

About (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one

(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one (PubChem CID 826146) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
PubChem CID826146
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
SMILESCCC[C@H]1C[C@](C)(C(=O)CNc2ccccn2)OC1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-,15+/m0/s1
InChIKeySKSMHQUWUQJHKP-XHDPSFHLSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The IUPAC name of (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one (CID 826146) is (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The canonical SMILES for (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one is CCC[C@H]1C[C@](C)(C(=O)CNc2ccccn2)OC1=O.
What is the InChIKey of (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The InChIKey is SKSMHQUWUQJHKP-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-,15+/m0/s1.
What are the key properties of (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one is sourced from PubChem (CID 826146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).