(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide

C12H15N3O4 — CID 120917022

IUPAC(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8-11(13-5-6-19-8)12(16)14-9-3-2-4-10(7-9)15(17)18/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,16)/t8-,11+/m1/s1
InChIKeyJOGXRPYGXRUVBV-KCJUWKMLSA-N
MW265.27 g/mol
LogP0.91
Rot. Bonds3

About (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide (PubChem CID 120917022) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
PubChem CID120917022
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8-11(13-5-6-19-8)12(16)14-9-3-2-4-10(7-9)15(17)18/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,16)/t8-,11+/m1/s1
InChIKeyJOGXRPYGXRUVBV-KCJUWKMLSA-N
XLogP0.91
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120919732
(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
CID 90476331
(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide (CID 120917022) is (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide?
The InChIKey is JOGXRPYGXRUVBV-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8-11(13-5-6-19-8)12(16)14-9-3-2-4-10(7-9)15(17)18/h2-4,7-8,11,13H,5-6H2,1H3,(H,14,16)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 120917022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).