(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C15H26N2O4 — CID 110202151

IUPAC(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyDJCHTBIZZYICTG-OLZOCXBDSA-N
MW298.38 g/mol
LogP0.56
Rot. Bonds3

About (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110202151) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110202151
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyDJCHTBIZZYICTG-OLZOCXBDSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110202151) is (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is COCCC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is DJCHTBIZZYICTG-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 298.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110202151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).