methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate

C24H25N3O4 — CID 59774998

IUPACmethyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)[C@H](CCN)NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H25N3O4/c1-31-24(30)20(14-15-25)26-22(28)19-13-8-16-27(23(19)29)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-13,16,20-21H,14-15,25H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyNKYFVXOQLSIFAW-FQEVSTJZSA-N
MW419.48 g/mol
LogP2.11
Rot. Bonds8

About methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate

methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate (PubChem CID 59774998) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate
PubChem CID59774998
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Namemethyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)[C@H](CCN)NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H25N3O4/c1-31-24(30)20(14-15-25)26-22(28)19-13-8-16-27(23(19)29)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-13,16,20-21H,14-15,25H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyNKYFVXOQLSIFAW-FQEVSTJZSA-N
XLogP2.11
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate (CID 59774998) is methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate is COC(=O)[C@H](CCN)NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate?
The InChIKey is NKYFVXOQLSIFAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-24(30)20(14-15-25)26-22(28)19-13-8-16-27(23(19)29)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-13,16,20-21H,14-15,25H2,1H3,(H,26,28)/t20-/m0/s1.
What are the key properties of methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate?
methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate has a molecular weight of 419.48 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-amino-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 59774998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).