5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid

C13H17N3O5 — CID 115412185

IUPAC5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
SMILESCNC(=O)C(C)NC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-7(11(17)14-2)15-13(20)16-10-5-4-8(21-3)6-9(10)12(18)19/h4-7H,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyUVHRCAJBZIVQOZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.65
Rot. Bonds5

About 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid

5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid (PubChem CID 115412185) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
PubChem CID115412185
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
SMILESCNC(=O)C(C)NC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-7(11(17)14-2)15-13(20)16-10-5-4-8(21-3)6-9(10)12(18)19/h4-7H,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyUVHRCAJBZIVQOZ-UHFFFAOYSA-N
XLogP0.65
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465534
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-5-methoxybenzoic acid
CID 104829305
2-(hexan-3-ylcarbamoylamino)-5-methoxybenzoic acid
CID 115412229
5-methoxy-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]benzoic acid
CID 115412279
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
CID 61478806
5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43267774
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
5-methoxy-2-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 115411509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid?
The IUPAC name of 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid (CID 115412185) is 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid is CNC(=O)C(C)NC(=O)Nc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid?
The InChIKey is UVHRCAJBZIVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-7(11(17)14-2)15-13(20)16-10-5-4-8(21-3)6-9(10)12(18)19/h4-7H,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid?
5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid is sourced from PubChem (CID 115412185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).