(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide

C10H20N2O3 — CID 128986897

IUPAC(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
SMILESCCOCCN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C10H20N2O3/c1-3-14-6-4-12-5-7-15-8(2)9(12)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+/m1/s1
InChIKeyKESPTQYNDFBEBD-BDAKNGLRSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds5

About (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide (PubChem CID 128986897) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
PubChem CID128986897
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
SMILESCCOCCN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C10H20N2O3/c1-3-14-6-4-12-5-7-15-8(2)9(12)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+/m1/s1
InChIKeyKESPTQYNDFBEBD-BDAKNGLRSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide (CID 128986897) is (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide is CCOCCN1CCO[C@H](C)[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is KESPTQYNDFBEBD-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-14-6-4-12-5-7-15-8(2)9(12)10(11)13/h8-9H,3-7H2,1-2H3,(H2,11,13)/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128986897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).