(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one

C12H22N2O3 — CID 95347705

IUPAC(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](N2CCO[C@H](CN(C)C)C2)C(=O)O1
InChIInChI=1S/C12H22N2O3/c1-9-6-11(12(15)17-9)14-4-5-16-10(8-14)7-13(2)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyWVICVFVCKZQQBS-MXWKQRLJSA-N
MW242.32 g/mol
LogP-0.05
Rot. Bonds3

About (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one

(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one (PubChem CID 95347705) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one
PubChem CID95347705
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](N2CCO[C@H](CN(C)C)C2)C(=O)O1
InChIInChI=1S/C12H22N2O3/c1-9-6-11(12(15)17-9)14-4-5-16-10(8-14)7-13(2)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyWVICVFVCKZQQBS-MXWKQRLJSA-N
XLogP-0.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one?
The IUPAC name of (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one (CID 95347705) is (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one is C[C@@H]1C[C@H](N2CCO[C@H](CN(C)C)C2)C(=O)O1.
What is the InChIKey of (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one?
The InChIKey is WVICVFVCKZQQBS-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-6-11(12(15)17-9)14-4-5-16-10(8-14)7-13(2)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1.
What are the key properties of (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one?
(3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one has a molecular weight of 242.32 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 95347705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).