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

C15H20N2O5 — CID 108789938

IUPAC5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccc(OCCC(=O)NC(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-10-2-4-11(5-3-10)22-9-8-14(19)17-12(15(20)21)6-7-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyNVSAYZBVZAKDGO-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.60
Rot. Bonds9

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

5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid (PubChem CID 108789938) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
PubChem CID108789938
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccc(OCCC(=O)NC(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-10-2-4-11(5-3-10)22-9-8-14(19)17-12(15(20)21)6-7-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyNVSAYZBVZAKDGO-UHFFFAOYSA-N
XLogP0.60
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
5-amino-2-[3-[4-[4-(dimethylaminodiazenyl)benzoyl]phenoxy]propanoylamino]-5-oxopentanoic acid
CID 58071578
2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
CID 43630645
(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781
4-amino-2-[3-(4-chlorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 108802876
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 107144586
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid (CID 108789938) is 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid is Cc1ccc(OCCC(=O)NC(CCC(N)=O)C(=O)O)cc1.
What is the InChIKey of 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid?
The InChIKey is NVSAYZBVZAKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-2-4-11(5-3-10)22-9-8-14(19)17-12(15(20)21)6-7-13(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-methylphenoxy)propanoylamino]-5-oxopentanoic acid?
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 108789938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).