(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid

C14H16FNO5 — CID 124513571

IUPAC(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-9(21-11-4-2-3-10(15)7-11)13(17)16-5-6-20-8-12(16)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19)/t9-,12-/m0/s1
InChIKeyOGCUETKXAGFNLD-CABZTGNLSA-N
MW297.28 g/mol
LogP0.90
Rot. Bonds4

About (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid

(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid (PubChem CID 124513571) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
PubChem CID124513571
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO5/c1-9(21-11-4-2-3-10(15)7-11)13(17)16-5-6-20-8-12(16)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19)/t9-,12-/m0/s1
InChIKeyOGCUETKXAGFNLD-CABZTGNLSA-N
XLogP0.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
4-[2-[[4-(2-chloro-4-fluorophenyl)-1-oxo-2H-isoquinolin-7-yl]oxy]propanoyl]morpholine-3-carboxylic acid;ethane
CID 167498286
(3S)-4-[(2R)-2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]oxy]propanoyl]morpholine-3-carboxylic acid
CID 167498218
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid (CID 124513571) is (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid is C[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is OGCUETKXAGFNLD-CABZTGNLSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-9(21-11-4-2-3-10(15)7-11)13(17)16-5-6-20-8-12(16)14(18)19/h2-4,7,9,12H,5-6,8H2,1H3,(H,18,19)/t9-,12-/m0/s1.
What are the key properties of (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).