2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid

C15H19NO5 — CID 63645904

IUPAC2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
SMILESCCc1ccc(CCC(=O)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-2-11-3-5-12(6-4-11)7-8-13(17)16(9-14(18)19)10-15(20)21/h3-6H,2,7-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyONQTZLSLONYIOB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds8

About 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid

2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid (PubChem CID 63645904) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
PubChem CID63645904
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
SMILESCCc1ccc(CCC(=O)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-2-11-3-5-12(6-4-11)7-8-13(17)16(9-14(18)19)10-15(20)21/h3-6H,2,7-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyONQTZLSLONYIOB-UHFFFAOYSA-N
XLogP1.18
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[3-(4-ethylsulfonylphenyl)propanoyl-propylamino]acetic acid
CID 120519625
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
CID 119192719
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519
2-[3-(4-aminophenyl)propanoyl-prop-2-ynylamino]acetic acid
CID 115341560
2-[4-(4-ethylphenyl)butanoyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid;formic acid
CID 154916535
2-(4-ethyl-N-propanoylanilino)acetic acid
CID 28766085

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid (CID 63645904) is 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid is CCc1ccc(CCC(=O)N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid?
The InChIKey is ONQTZLSLONYIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-11-3-5-12(6-4-11)7-8-13(17)16(9-14(18)19)10-15(20)21/h3-6H,2,7-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid?
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 63645904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).