methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate

C16H18N2O5 — CID 59340128

IUPACmethyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(O)c2c(C)cccc2n(C)c1=O
InChIInChI=1S/C16H18N2O5/c1-8-6-5-7-10-11(8)13(19)12(15(21)18(10)3)14(20)17-9(2)16(22)23-4/h5-7,9,19H,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyQKQRQMNWUYQYBW-VIFPVBQESA-N
MW318.33 g/mol
LogP0.84
Rot. Bonds3

About methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate

methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate (PubChem CID 59340128) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate
PubChem CID59340128
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(O)c2c(C)cccc2n(C)c1=O
InChIInChI=1S/C16H18N2O5/c1-8-6-5-7-10-11(8)13(19)12(15(21)18(10)3)14(20)17-9(2)16(22)23-4/h5-7,9,19H,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyQKQRQMNWUYQYBW-VIFPVBQESA-N
XLogP0.84
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate (CID 59340128) is methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1c(O)c2c(C)cccc2n(C)c1=O.
What is the InChIKey of methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The InChIKey is QKQRQMNWUYQYBW-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18N2O5/c1-8-6-5-7-10-11(8)13(19)12(15(21)18(10)3)14(20)17-9(2)16(22)23-4/h5-7,9,19H,1-4H3,(H,17,20)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate has a molecular weight of 318.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-hydroxy-1,5-dimethyl-2-oxoquinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 59340128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).