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

C14H16FNO4 — CID 125154094

IUPAC(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO4/c1-9(10-3-2-4-11(15)7-10)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+/m1/s1
InChIKeyYGAHCGKWVQZWRR-SKDRFNHKSA-N
MW281.28 g/mol
LogP1.24
Rot. Bonds3

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

(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 125154094) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
PubChem CID125154094
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO4/c1-9(10-3-2-4-11(15)7-10)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+/m1/s1
InChIKeyYGAHCGKWVQZWRR-SKDRFNHKSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
CID 166277065
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119631261
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
(3S,4S)-1-[2-(3-fluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953267
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid (CID 125154094) is (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid is C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)c1cccc(F)c1.
What is the InChIKey of (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is YGAHCGKWVQZWRR-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(10-3-2-4-11(15)7-10)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+/m1/s1.
What are the key properties of (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125154094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).