(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide

C11H20N2O2 — CID 120926207

IUPAC(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CC1
InChIInChI=1S/C11H20N2O2/c1-8-10(12-5-6-15-8)11(14)13(2)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyQMELQYGBLMTSEH-SCZZXKLOSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide

(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120926207) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120926207
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CC1
InChIInChI=1S/C11H20N2O2/c1-8-10(12-5-6-15-8)11(14)13(2)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyQMELQYGBLMTSEH-SCZZXKLOSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide (CID 120926207) is (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CC1.
What is the InChIKey of (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is QMELQYGBLMTSEH-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-10(12-5-6-15-8)11(14)13(2)7-9-3-4-9/h8-10,12H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120926207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).