2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid

C13H17NO4 — CID 82101024

IUPAC2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)C(C)NCC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-18-11-7-5-4-6-10(11)13(17)9(2)14-8-12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeySQIZXNPTLSUEJH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.33
Rot. Bonds7

About 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid

2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 82101024) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID82101024
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCCOc1ccccc1C(=O)C(C)NCC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-18-11-7-5-4-6-10(11)13(17)9(2)14-8-12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeySQIZXNPTLSUEJH-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82101045
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
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1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
potassium;2-ethoxybenzoic acid;hydride
CID 175278645

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid (CID 82101024) is 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid is CCOc1ccccc1C(=O)C(C)NCC(=O)O.
What is the InChIKey of 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SQIZXNPTLSUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-18-11-7-5-4-6-10(11)13(17)9(2)14-8-12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid?
2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 82101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).