4-(2-ethylphenoxy)-2-(methylamino)butanoic acid

C13H19NO3 — CID 63034947

IUPAC4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
SMILESCCc1ccccc1OCCC(NC)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-10-6-4-5-7-12(10)17-9-8-11(14-2)13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyTXWIJIROQRXPPB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds7

About 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid

4-(2-ethylphenoxy)-2-(methylamino)butanoic acid (PubChem CID 63034947) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
PubChem CID63034947
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
SMILESCCc1ccccc1OCCC(NC)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-10-6-4-5-7-12(10)17-9-8-11(14-2)13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyTXWIJIROQRXPPB-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
CID 143212332
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
4-(2-ethylphenoxy)butanamide
CID 82040636
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
2-(methylamino)-4-(4-propan-2-ylphenoxy)butanoic acid
CID 63038968
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butanoic acid
CID 63039632

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid (CID 63034947) is 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid is CCc1ccccc1OCCC(NC)C(=O)O.
What is the InChIKey of 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid?
The InChIKey is TXWIJIROQRXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-10-6-4-5-7-12(10)17-9-8-11(14-2)13(15)16/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid?
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63034947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).