(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide

C11H13N3O4 — CID 94375145

IUPAC(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C11H13N3O4/c12-11(15)10-7-13(5-6-18-10)8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2,(H2,12,15)/t10-/m0/s1
InChIKeyPXMSCWNZMMODOI-JTQLQIEISA-N
MW251.24 g/mol
LogP0.29
Rot. Bonds3

About (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide

(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide (PubChem CID 94375145) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
PubChem CID94375145
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C11H13N3O4/c12-11(15)10-7-13(5-6-18-10)8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2,(H2,12,15)/t10-/m0/s1
InChIKeyPXMSCWNZMMODOI-JTQLQIEISA-N
XLogP0.29
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
methyl 4-(3-nitrophenyl)morpholine-2-carboxylate
CID 78926285
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225
4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240073
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide (CID 94375145) is (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide is NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1.
What is the InChIKey of (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide?
The InChIKey is PXMSCWNZMMODOI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3O4/c12-11(15)10-7-13(5-6-18-10)8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2,(H2,12,15)/t10-/m0/s1.
What are the key properties of (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide?
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-nitrophenyl)morpholine-2-carboxamide is sourced from PubChem (CID 94375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).