(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid

C11H12FNO3 — CID 95804351

IUPAC(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2cccc(F)c2)CCO1
InChIInChI=1S/C11H12FNO3/c12-8-2-1-3-9(6-8)13-4-5-16-10(7-13)11(14)15/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1
InChIKeyFLXLSAHUYGGLMV-JTQLQIEISA-N
MW225.22 g/mol
LogP1.12
Rot. Bonds2

About (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid

(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid (PubChem CID 95804351) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
PubChem CID95804351
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2cccc(F)c2)CCO1
InChIInChI=1S/C11H12FNO3/c12-8-2-1-3-9(6-8)13-4-5-16-10(7-13)11(14)15/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1
InChIKeyFLXLSAHUYGGLMV-JTQLQIEISA-N
XLogP1.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
CID 117008801
4-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240165
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
2-(3-fluorophenyl)-N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 110710034
(2R)-4-(3-methoxyphenyl)-N-methylmorpholine-2-carboxamide
CID 95841946
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
4-(4-cyano-2,6-difluorophenyl)morpholine-2-carboxylic acid
CID 81293789

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid (CID 95804351) is (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(c2cccc(F)c2)CCO1.
What is the InChIKey of (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid?
The InChIKey is FLXLSAHUYGGLMV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-2-1-3-9(6-8)13-4-5-16-10(7-13)11(14)15/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid?
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 95804351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).