2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid

C12H14N2O5 — CID 43084667

IUPAC2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)NC(=O)C(C)Oc1ccccc1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(10(15)14-12(18)13-2)19-9-6-4-3-5-8(9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeySFSXJYOGLUUARY-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid

2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 43084667) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID43084667
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)NC(=O)C(C)Oc1ccccc1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(10(15)14-12(18)13-2)19-9-6-4-3-5-8(9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeySFSXJYOGLUUARY-UHFFFAOYSA-N
XLogP0.61
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2R)-N-(methylcarbamoyl)-2-(2-phenylphenoxy)propanamide
CID 7986963
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
2-fluoro-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107013997
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43116458
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9110835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 43084667) is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid is CNC(=O)NC(=O)C(C)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is SFSXJYOGLUUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(10(15)14-12(18)13-2)19-9-6-4-3-5-8(9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid?
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 43084667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).