2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid

C13H19N3O3 — CID 115378578

IUPAC2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
SMILESCc1ccc(NC(=O)N(C)CC(=O)O)cc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-9-5-6-10(7-11(9)15(2)3)14-13(19)16(4)8-12(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyFHGYCDIXXXVZTB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds4

About 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid

2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid (PubChem CID 115378578) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
PubChem CID115378578
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
SMILESCc1ccc(NC(=O)N(C)CC(=O)O)cc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-9-5-6-10(7-11(9)15(2)3)14-13(19)16(4)8-12(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyFHGYCDIXXXVZTB-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
CID 115378615
4-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]butanoic acid
CID 115378583
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571
2-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 43135768
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
5-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylbenzoic acid
CID 63653548
N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
CID 46343165

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid (CID 115378578) is 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid is Cc1ccc(NC(=O)N(C)CC(=O)O)cc1N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid?
The InChIKey is FHGYCDIXXXVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-5-6-10(7-11(9)15(2)3)14-13(19)16(4)8-12(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid?
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 115378578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).