5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid

C15H20N2O4 — CID 43358715

IUPAC5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccc(CCC(=O)NC(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10-2-4-11(5-3-10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyBKPWHYIQJDYQNX-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.76
Rot. Bonds8

About 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid

5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid (PubChem CID 43358715) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
PubChem CID43358715
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccc(CCC(=O)NC(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10-2-4-11(5-3-10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyBKPWHYIQJDYQNX-UHFFFAOYSA-N
XLogP0.76
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
CID 107823303
(4S)-8-amino-4-[3-(4-methylphenyl)propanoylamino]-5,8-dioxooctanoic acid
CID 162172413
(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
5-[(2-amino-2-oxoethyl)amino]-4-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 123811855
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986
(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid
CID 166310395

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid (CID 43358715) is 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid is Cc1ccc(CCC(=O)NC(CCC(N)=O)C(=O)O)cc1.
What is the InChIKey of 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is BKPWHYIQJDYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-2-4-11(5-3-10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid?
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43358715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).