3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid

C10H10N2O5 — CID 16784050

IUPAC3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
SMILESNC(=O)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10N2O5/c11-10(16)12-8(13)5-17-7-3-1-2-6(4-7)9(14)15/h1-4H,5H2,(H,14,15)(H3,11,12,13,16)
InChIKeyULIGXIDXSIPZLY-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.04
Rot. Bonds4

About 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid

3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid (PubChem CID 16784050) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
PubChem CID16784050
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
SMILESNC(=O)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C10H10N2O5/c11-10(16)12-8(13)5-17-7-3-1-2-6(4-7)9(14)15/h1-4H,5H2,(H,14,15)(H3,11,12,13,16)
InChIKeyULIGXIDXSIPZLY-UHFFFAOYSA-N
XLogP-0.04
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 43214258
[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625803
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279890
3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585

Frequently Asked Questions

What is the IUPAC name of 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid (CID 16784050) is 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid is NC(=O)NC(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is ULIGXIDXSIPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c11-10(16)12-8(13)5-17-7-3-1-2-6(4-7)9(14)15/h1-4H,5H2,(H,14,15)(H3,11,12,13,16).
What are the key properties of 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid?
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 238.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 16784050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).