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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Related Compounds

(2R)-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid;methyl (2R)-5-(1-aminoethylideneamino)-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]pentanoate;2,2,2-trifluoroacetaldehyde
CID 162148557
(2S)-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25158029
(2S)-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]-5-[(2-methylcyclopropyl)amino]pentanoic acid
CID 143710002
(2S)-5-[[amino-(2,2-dihydroxyhydrazinyl)methylidene]amino]-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 89250492
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 69269494
methyl (2S)-2-[[2-[[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 10864915
dimethyl 2-[(2-formylbenzoyl)amino]pentanedioate;ethane
CID 143020846
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
(2S)-5-amino-2-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid;2,2,2-trifluoroacetic acid
CID 86622138
dimethyl (2S)-2-[(4-chlorobenzoyl)amino]pentanedioate
CID 52694056

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).