3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid

C11H12FNO4 — CID 66166822

IUPAC3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
SMILESCc1ccc(C(=O)NCC(O)C(=O)O)cc1F
InChIInChI=1S/C11H12FNO4/c1-6-2-3-7(4-8(6)12)10(15)13-5-9(14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyLTNSWSFDFYJZDO-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.31
Rot. Bonds4

About 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid

3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 66166822) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID66166822
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
SMILESCc1ccc(C(=O)NCC(O)C(=O)O)cc1F
InChIInChI=1S/C11H12FNO4/c1-6-2-3-7(4-8(6)12)10(15)13-5-9(14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyLTNSWSFDFYJZDO-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid (CID 66166822) is 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid is Cc1ccc(C(=O)NCC(O)C(=O)O)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is LTNSWSFDFYJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6-2-3-7(4-8(6)12)10(15)13-5-9(14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid?
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 241.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).