2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid

C16H23NO5 — CID 119954855

IUPAC2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
SMILESCCOc1ccc(OCC(=O)N(CC(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H23NO5/c1-4-12(3)17(10-16(19)20)15(18)11-22-14-8-6-13(7-9-14)21-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyUBRYWFUPMVKEOS-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.18
Rot. Bonds9

About 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid

2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 119954855) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
PubChem CID119954855
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
SMILESCCOc1ccc(OCC(=O)N(CC(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H23NO5/c1-4-12(3)17(10-16(19)20)15(18)11-22-14-8-6-13(7-9-14)21-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyUBRYWFUPMVKEOS-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 8566212
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
CID 65057445
2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810
2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid (CID 119954855) is 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid is CCOc1ccc(OCC(=O)N(CC(=O)O)C(C)CC)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is UBRYWFUPMVKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-12(3)17(10-16(19)20)15(18)11-22-14-8-6-13(7-9-14)21-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 309.36 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119954855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).