2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid

C14H19NO4 — CID 54900937

IUPAC2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
SMILESCCc1cccc(OCC(=O)N(CC)CC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-11-6-5-7-12(8-11)19-10-13(16)15(4-2)9-14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKDODQFRCQHYNCO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds7

About 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid

2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid (PubChem CID 54900937) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
PubChem CID54900937
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
SMILESCCc1cccc(OCC(=O)N(CC)CC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-11-6-5-7-12(8-11)19-10-13(16)15(4-2)9-14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKDODQFRCQHYNCO-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid (CID 54900937) is 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid is CCc1cccc(OCC(=O)N(CC)CC(=O)O)c1.
What is the InChIKey of 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid?
The InChIKey is KDODQFRCQHYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11-6-5-7-12(8-11)19-10-13(16)15(4-2)9-14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid?
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 54900937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).