2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid

C14H17FN2O4 — CID 79046066

IUPAC2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(F)cc(NC(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O4/c1-9-4-10(15)6-11(5-9)16-14(20)17-2-3-21-12(8-17)7-13(18)19/h4-6,12H,2-3,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyQXAIDJMIANSGET-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 79046066) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID79046066
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(F)cc(NC(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O4/c1-9-4-10(15)6-11(5-9)16-14(20)17-2-3-21-12(8-17)7-13(18)19/h4-6,12H,2-3,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyQXAIDJMIANSGET-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid (CID 79046066) is 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid is Cc1cc(F)cc(NC(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is QXAIDJMIANSGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9-4-10(15)6-11(5-9)16-14(20)17-2-3-21-12(8-17)7-13(18)19/h4-6,12H,2-3,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 79046066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).