(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid

C12H14N2O4 — CID 123840193

IUPAC(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid
SMILESO=NCc1ccc([C@@H]2COCCN2C(=O)O)cc1
InChIInChI=1S/C12H14N2O4/c15-12(16)14-5-6-18-8-11(14)10-3-1-9(2-4-10)7-13-17/h1-4,11H,5-8H2,(H,15,16)/t11-/m0/s1
InChIKeyYMEJGYWBBKTJSV-NSHDSACASA-N
MW250.25 g/mol
LogP2.00
Rot. Bonds3

About (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid

(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid (PubChem CID 123840193) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid
PubChem CID123840193
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid
SMILESO=NCc1ccc([C@@H]2COCCN2C(=O)O)cc1
InChIInChI=1S/C12H14N2O4/c15-12(16)14-5-6-18-8-11(14)10-3-1-9(2-4-10)7-13-17/h1-4,11H,5-8H2,(H,15,16)/t11-/m0/s1
InChIKeyYMEJGYWBBKTJSV-NSHDSACASA-N
XLogP2.00
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid?
The IUPAC name of (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid (CID 123840193) is (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid?
The canonical SMILES for (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid is O=NCc1ccc([C@@H]2COCCN2C(=O)O)cc1.
What is the InChIKey of (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid?
The InChIKey is YMEJGYWBBKTJSV-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O4/c15-12(16)14-5-6-18-8-11(14)10-3-1-9(2-4-10)7-13-17/h1-4,11H,5-8H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid?
(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 123840193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).