4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid

C13H16FNO3 — CID 65067073

IUPAC4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
SMILESCc1cc(CN2CCOC(C(=O)O)C2)ccc1F
InChIInChI=1S/C13H16FNO3/c1-9-6-10(2-3-11(9)14)7-15-4-5-18-12(8-15)13(16)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyJNZDHBJLEZERPI-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.42
Rot. Bonds3

About 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid

4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid (PubChem CID 65067073) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
PubChem CID65067073
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
SMILESCc1cc(CN2CCOC(C(=O)O)C2)ccc1F
InChIInChI=1S/C13H16FNO3/c1-9-6-10(2-3-11(9)14)7-15-4-5-18-12(8-15)13(16)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyJNZDHBJLEZERPI-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79666580
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid (CID 65067073) is 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid is Cc1cc(CN2CCOC(C(=O)O)C2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is JNZDHBJLEZERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9-6-10(2-3-11(9)14)7-15-4-5-18-12(8-15)13(16)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid?
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65067073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).