3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid

C14H18FNO3 — CID 129415173

IUPAC3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
SMILESC[C@H]1CN(CCC(=O)O)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C14H18FNO3/c1-10-8-16(7-6-14(17)18)9-13(19-10)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyKSZIQELDNOSZKV-GWCFXTLKSA-N
MW267.30 g/mol
LogP2.06
Rot. Bonds4

About 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid

3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid (PubChem CID 129415173) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
PubChem CID129415173
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
SMILESC[C@H]1CN(CCC(=O)O)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C14H18FNO3/c1-10-8-16(7-6-14(17)18)9-13(19-10)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyKSZIQELDNOSZKV-GWCFXTLKSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
CID 129433226
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
CID 124729091
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid (CID 129415173) is 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid is C[C@H]1CN(CCC(=O)O)C[C@@H](c2ccc(F)cc2)O1.
What is the InChIKey of 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid?
The InChIKey is KSZIQELDNOSZKV-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-8-16(7-6-14(17)18)9-13(19-10)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1.
What are the key properties of 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid?
3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid is sourced from PubChem (CID 129415173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).