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

C15H23N3O3 — CID 115378571

IUPAC2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)C(C)C)cc1N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)18(9-14(19)20)15(21)16-12-7-6-11(3)13(8-12)17(4)5/h6-8,10H,9H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyBUBCNBFVKLHSTQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.39
Rot. Bonds5

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

2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 115378571) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
PubChem CID115378571
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)C(C)C)cc1N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)18(9-14(19)20)15(21)16-12-7-6-11(3)13(8-12)17(4)5/h6-8,10H,9H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyBUBCNBFVKLHSTQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
3-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]propanoic acid
CID 115378615
2-[1,3-benzodioxol-5-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 61193838
4-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]butanoic acid
CID 115378583
2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79049906
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 61182416
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid (CID 115378571) is 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid is Cc1ccc(NC(=O)N(CC(=O)O)C(C)C)cc1N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is BUBCNBFVKLHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)18(9-14(19)20)15(21)16-12-7-6-11(3)13(8-12)17(4)5/h6-8,10H,9H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid?
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.39, 5 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-propan-2-ylamino]acetic acid is sourced from PubChem (CID 115378571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).