methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate

C15H15FN2O5 — CID 54712188

IUPACmethyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(O)c2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C15H15FN2O5/c1-7(15(22)23-3)17-13(20)11-12(19)9-5-4-8(16)6-10(9)18(2)14(11)21/h4-7,19H,1-3H3,(H,17,20)/t7-/m0/s1
InChIKeyZEROPJBQNXKTMK-ZETCQYMHSA-N
MW322.29 g/mol
LogP0.67
Rot. Bonds3

About methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate

methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate (PubChem CID 54712188) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
PubChem CID54712188
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Namemethyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(O)c2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C15H15FN2O5/c1-7(15(22)23-3)17-13(20)11-12(19)9-5-4-8(16)6-10(9)18(2)14(11)21/h4-7,19H,1-3H3,(H,17,20)/t7-/m0/s1
InChIKeyZEROPJBQNXKTMK-ZETCQYMHSA-N
XLogP0.67
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate (CID 54712188) is methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1c(O)c2ccc(F)cc2n(C)c1=O.
What is the InChIKey of methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The InChIKey is ZEROPJBQNXKTMK-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-7(15(22)23-3)17-13(20)11-12(19)9-5-4-8(16)6-10(9)18(2)14(11)21/h4-7,19H,1-3H3,(H,17,20)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate has a molecular weight of 322.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 54712188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).