2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid

C13H16N2O5 — CID 142638455

IUPAC2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid
SMILESCCOC(=O)Cc1cccc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H16N2O5/c1-2-20-12(18)7-9-4-3-5-10(6-9)15-13(19)14-8-11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyNVKUJGSBURQACD-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.00
Rot. Bonds6

About 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid

2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid (PubChem CID 142638455) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid
PubChem CID142638455
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid
SMILESCCOC(=O)Cc1cccc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H16N2O5/c1-2-20-12(18)7-9-4-3-5-10(6-9)15-13(19)14-8-11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyNVKUJGSBURQACD-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

ethyl 2-[[3-[[methyl(phenylmethoxycarbonyl)amino]methyl]phenyl]carbamoylamino]acetate
CID 67455942
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
ethyl 2-phenylacetate
CID 7590
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
ethyl 2-phenylacetate;hydrate
CID 141257001
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
ethyl 2-(3-sulfanylphenyl)acetate
CID 66764945
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid?
The IUPAC name of 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid (CID 142638455) is 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid is CCOC(=O)Cc1cccc(NC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid?
The InChIKey is NVKUJGSBURQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-20-12(18)7-9-4-3-5-10(6-9)15-13(19)14-8-11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,19).
What are the key properties of 2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid?
2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]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-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid is sourced from PubChem (CID 142638455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).