2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid

C14H15F2NO4 — CID 124695384

IUPAC2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1cc(F)c(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1F
InChIInChI=1S/C14H15F2NO4/c1-8-4-12(16)10(6-11(8)15)14(20)17-2-3-21-9(7-17)5-13(18)19/h4,6,9H,2-3,5,7H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyBKMRGRFLCNJYNZ-SECBINFHSA-N
MW299.27 g/mol
LogP1.59
Rot. Bonds3

About 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 124695384) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID124695384
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1cc(F)c(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1F
InChIInChI=1S/C14H15F2NO4/c1-8-4-12(16)10(6-11(8)15)14(20)17-2-3-21-9(7-17)5-13(18)19/h4,6,9H,2-3,5,7H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyBKMRGRFLCNJYNZ-SECBINFHSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248444
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid (CID 124695384) is 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid is Cc1cc(F)c(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is BKMRGRFLCNJYNZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-8-4-12(16)10(6-11(8)15)14(20)17-2-3-21-9(7-17)5-13(18)19/h4,6,9H,2-3,5,7H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 299.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124695384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).