2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C13H16N2O5 — CID 61328874

IUPAC2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFDDWHBZBQSMONL-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.00
Rot. Bonds6

About 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328874) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61328874
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCCc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFDDWHBZBQSMONL-UHFFFAOYSA-N
XLogP1.00
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964654
2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 61329062
2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107585817
1-(4-ethylphenyl)-3-methylurea
CID 54250791
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
2-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61328874) is 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is CCc1ccc(NC(=O)NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is FDDWHBZBQSMONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-9-3-5-10(6-4-9)14-13(19)15-11(16)7-20-8-12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).