2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid

C11H13N3O4 — CID 3059238

IUPAC2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid
SMILESCNC(=O)N(C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-12-10(17)14(2)11(18)13-8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyNFTAPASXCAZNOZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.19
Rot. Bonds2

About 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid

2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid (PubChem CID 3059238) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid
PubChem CID3059238
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid
SMILESCNC(=O)N(C)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C11H13N3O4/c1-12-10(17)14(2)11(18)13-8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyNFTAPASXCAZNOZ-UHFFFAOYSA-N
XLogP1.19
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid (CID 3059238) is 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid is CNC(=O)N(C)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid?
The InChIKey is NFTAPASXCAZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-12-10(17)14(2)11(18)13-8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid?
2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 3059238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).