2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid

C14H19NO5 — CID 59772093

IUPAC2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
SMILESCOCC(C)OC(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-11(10-19-2)20-14(18)9-15(8-13(16)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyDEECAJCXKZSJSE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.16
Rot. Bonds8

About 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid

2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid (PubChem CID 59772093) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
PubChem CID59772093
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
SMILESCOCC(C)OC(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-11(10-19-2)20-14(18)9-15(8-13(16)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17)
InChIKeyDEECAJCXKZSJSE-UHFFFAOYSA-N
XLogP1.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
CID 59772116
3-(N-(2-hydroxy-3-methoxypropyl)anilino)propanoic acid
CID 63930935
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
CID 60839603

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid (CID 59772093) is 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid is COCC(C)OC(=O)CN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid?
The InChIKey is DEECAJCXKZSJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-11(10-19-2)20-14(18)9-15(8-13(16)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid?
2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 59772093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).