(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid

C14H16ClNO4 — CID 120536036

IUPAC(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
SMILESCc1cccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c1Cl
InChIInChI=1S/C14H16ClNO4/c1-8-4-3-5-10(12(8)15)13(17)16-6-9(2)20-11(7-16)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19)/t9-,11?/m1/s1
InChIKeyWIGFPBSANABIDZ-BFHBGLAWSA-N
MW297.74 g/mol
LogP1.96
Rot. Bonds2

About (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid

(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536036) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
PubChem CID120536036
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
SMILESCc1cccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c1Cl
InChIInChI=1S/C14H16ClNO4/c1-8-4-3-5-10(12(8)15)13(17)16-6-9(2)20-11(7-16)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19)/t9-,11?/m1/s1
InChIKeyWIGFPBSANABIDZ-BFHBGLAWSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid with MolForge

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Related Compounds

(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
(3S,4S)-1-(2-chloro-3-methylbenzoyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135103416
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(6R)-4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536281
(2-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958547
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536293
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid (CID 120536036) is (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid is Cc1cccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c1Cl.
What is the InChIKey of (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid?
The InChIKey is WIGFPBSANABIDZ-BFHBGLAWSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-8-4-3-5-10(12(8)15)13(17)16-6-9(2)20-11(7-16)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19)/t9-,11?/m1/s1.
What are the key properties of (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid?
(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).