methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate

C19H22N2O3 — CID 157440518

IUPACmethyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate
SMILESCOC(=O)C(N)CCC(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-24-19(23)17(20)11-12-18(22)21-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3,(H,21,22)
InChIKeyGZPYZENOGTYALH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.50
Rot. Bonds7

About methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate

methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate (PubChem CID 157440518) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate
PubChem CID157440518
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate
SMILESCOC(=O)C(N)CCC(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-24-19(23)17(20)11-12-18(22)21-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3,(H,21,22)
InChIKeyGZPYZENOGTYALH-UHFFFAOYSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
CID 134586537
methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate
CID 10705950
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
methyl (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoate
CID 138657696
methyl (2S)-2-amino-5-[4-(diethylcarbamothioylsulfanylmethyl)anilino]-5-oxopentanoate;propane
CID 142514357
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
2-[2-[2-[[4-[4-(2-amino-3-methoxy-3-oxopropyl)anilino]-4-oxobutanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 90995099
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl 2-amino-6-phenylhexanoate
CID 76830671

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate?
The IUPAC name of methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate (CID 157440518) is methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate.
What is the SMILES notation for methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate?
The canonical SMILES for methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate is COC(=O)C(N)CCC(=O)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate?
The InChIKey is GZPYZENOGTYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-19(23)17(20)11-12-18(22)21-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3,(H,21,22).
What are the key properties of methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate?
methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate has a molecular weight of 326.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate is sourced from PubChem (CID 157440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).