3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid

C13H19N3O3 — CID 106760433

IUPAC3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-9(8-12(17)18)14-13(19)15-10-6-4-5-7-11(10)16(2)3/h4-7,9H,8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyCHXOBMJKZISAHQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds5

About 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid

3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid (PubChem CID 106760433) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
PubChem CID106760433
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-9(8-12(17)18)14-13(19)15-10-6-4-5-7-11(10)16(2)3/h4-7,9H,8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyCHXOBMJKZISAHQ-UHFFFAOYSA-N
XLogP1.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111113058
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 106760414
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid (CID 106760433) is 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid is CC(CC(=O)O)NC(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid?
The InChIKey is CHXOBMJKZISAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-12(17)18)14-13(19)15-10-6-4-5-7-11(10)16(2)3/h4-7,9H,8H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid?
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 106760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).