2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid

C14H17NO6 — CID 60662033

IUPAC2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
SMILESCC(C)OC(=O)c1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C14H17NO6/c1-9(2)21-14(19)10-3-5-11(6-4-10)15-12(16)7-20-8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFXASDJIRZPQUDH-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.29
Rot. Bonds7

About 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid

2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid (PubChem CID 60662033) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
PubChem CID60662033
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
SMILESCC(C)OC(=O)c1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C14H17NO6/c1-9(2)21-14(19)10-3-5-11(6-4-10)15-12(16)7-20-8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFXASDJIRZPQUDH-UHFFFAOYSA-N
XLogP1.29
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833853
propan-2-yl 4-[[2-(4-nitrobenzoyl)oxyacetyl]amino]benzoate
CID 7859404
propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 8019758
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
propan-2-yl 4-[[2-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 9454501

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid (CID 60662033) is 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid is CC(C)OC(=O)c1ccc(NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid?
The InChIKey is FXASDJIRZPQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-9(2)21-14(19)10-3-5-11(6-4-10)15-12(16)7-20-8-13(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid?
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid has a molecular weight of 295.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid is sourced from PubChem (CID 60662033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).