2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid

C13H19NO4 — CID 63041236

IUPAC2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
SMILESCCNC(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-14-10(13(15)16)8-9-18-12-7-5-4-6-11(12)17-2/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyQYFCMLMCSCQNJD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.53
Rot. Bonds8

About 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid

2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid (PubChem CID 63041236) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
PubChem CID63041236
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
SMILESCCNC(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-14-10(13(15)16)8-9-18-12-7-5-4-6-11(12)17-2/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyQYFCMLMCSCQNJD-UHFFFAOYSA-N
XLogP1.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
4-(3,5-dimethylphenoxy)-2-(ethylamino)butanoic acid
CID 55143577
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid?
The IUPAC name of 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid (CID 63041236) is 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid is CCNC(CCOc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid?
The InChIKey is QYFCMLMCSCQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-14-10(13(15)16)8-9-18-12-7-5-4-6-11(12)17-2/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid?
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 63041236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).