methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate

C17H17ClN2O4 — CID 20788730

IUPACmethyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H17ClN2O4/c1-11(17(23)24-2)19-15(21)14-4-3-9-20(16(14)22)10-12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyNNQWTZZYRNGWFC-NSHDSACASA-N
MW348.79 g/mol
LogP1.84
Rot. Bonds5

About methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate

methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate (PubChem CID 20788730) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate
PubChem CID20788730
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Namemethyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H17ClN2O4/c1-11(17(23)24-2)19-15(21)14-4-3-9-20(16(14)22)10-12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyNNQWTZZYRNGWFC-NSHDSACASA-N
XLogP1.84
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate (CID 20788730) is methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate?
The InChIKey is NNQWTZZYRNGWFC-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-11(17(23)24-2)19-15(21)14-4-3-9-20(16(14)22)10-12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate?
methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate has a molecular weight of 348.79 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 20788730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).