2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid

C14H18N2O5 — CID 107434278

IUPAC2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(C)c(OCC(=O)N(CC(N)=O)CC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9-3-4-10(2)11(5-9)21-8-13(18)16(6-12(15)17)7-14(19)20/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,19,20)
InChIKeyUSXULCAOTGSOAD-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.08
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid (PubChem CID 107434278) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
PubChem CID107434278
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1ccc(C)c(OCC(=O)N(CC(N)=O)CC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9-3-4-10(2)11(5-9)21-8-13(18)16(6-12(15)17)7-14(19)20/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,19,20)
InChIKeyUSXULCAOTGSOAD-UHFFFAOYSA-N
XLogP0.08
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic 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

2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 79265320
2-[(2-amino-2-oxoethyl)-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]acetic acid
CID 107433623
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 86997222
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655334
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid (CID 107434278) is 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid is Cc1ccc(C)c(OCC(=O)N(CC(N)=O)CC(=O)O)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
The InChIKey is USXULCAOTGSOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-3-4-10(2)11(5-9)21-8-13(18)16(6-12(15)17)7-14(19)20/h3-5H,6-8H2,1-2H3,(H2,15,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 107434278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).