(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid

C13H14FNO4 — CID 124513507

IUPAC(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H14FNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-7-11(15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyPXSYGMVTUDKKSO-LLVKDONJSA-N
MW267.26 g/mol
LogP1.06
Rot. Bonds2

About (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid

(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid (PubChem CID 124513507) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
PubChem CID124513507
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H14FNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-7-11(15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyPXSYGMVTUDKKSO-LLVKDONJSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
CID 119215971
(3R)-4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholine-3-carboxylic acid
CID 125153884
4-(4-fluoro-3-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 82901000
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
4-(4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl)morpholine-3-carboxylic acid
CID 167817659
(3R)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153726
4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
CID 114427211
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
CID 119216217
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid (CID 124513507) is (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid is Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)ccc1F.
What is the InChIKey of (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid?
The InChIKey is PXSYGMVTUDKKSO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-7-11(15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid?
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).