2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid

C16H25NO3 — CID 65063803

IUPAC2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
SMILESCCOc1ccc(C(C)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-20-15-8-6-14(7-9-15)13(4)17(10-12(2)3)11-16(18)19/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyUVOHOPOKCZXJRS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.19
Rot. Bonds8

About 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid

2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid (PubChem CID 65063803) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
PubChem CID65063803
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
SMILESCCOc1ccc(C(C)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-20-15-8-6-14(7-9-15)13(4)17(10-12(2)3)11-16(18)19/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyUVOHOPOKCZXJRS-UHFFFAOYSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760
2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263710
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid (CID 65063803) is 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid is CCOc1ccc(C(C)N(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is UVOHOPOKCZXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-20-15-8-6-14(7-9-15)13(4)17(10-12(2)3)11-16(18)19/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid?
2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65063803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).