2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid

C12H15N3O4 — CID 61196082

IUPAC2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
SMILESCN(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15N3O4/c1-15(2)12(19)14-9-5-3-8(4-6-9)11(18)13-7-10(16)17/h3-6H,7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeySJSUYZRUPRJNML-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.59
Rot. Bonds4

About 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid

2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid (PubChem CID 61196082) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
PubChem CID61196082
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
SMILESCN(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15N3O4/c1-15(2)12(19)14-9-5-3-8(4-6-9)11(18)13-7-10(16)17/h3-6H,7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeySJSUYZRUPRJNML-UHFFFAOYSA-N
XLogP0.59
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
(Z)-4-[4-(carboxymethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 54609782
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[[4-[(3-amino-2,2-dimethylpropanoyl)amino]benzoyl]amino]acetic acid
CID 115426496
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
2-[[4-[(2-methylcyclopropyl)carbamoylamino]benzoyl]amino]acetic acid
CID 62408634
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498
2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid (CID 61196082) is 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid is CN(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid?
The InChIKey is SJSUYZRUPRJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15(2)12(19)14-9-5-3-8(4-6-9)11(18)13-7-10(16)17/h3-6H,7H2,1-2H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid?
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 61196082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).