3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid

C14H20N2O3 — CID 60989210

IUPAC3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
SMILESCN(C)Cc1ccc(C(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-11-4-6-12(7-5-11)14(19)16(3)9-8-13(17)18/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyRMDUIMOQCGFZQS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.29
Rot. Bonds6

About 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid

3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid (PubChem CID 60989210) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
PubChem CID60989210
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
SMILESCN(C)Cc1ccc(C(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-11-4-6-12(7-5-11)14(19)16(3)9-8-13(17)18/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyRMDUIMOQCGFZQS-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
CID 119362913
3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60989966
3-[[4-[[deuteriomethyl(methyl)amino]methyl]benzoyl]amino]propanoic acid
CID 59032279
4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid (CID 60989210) is 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid is CN(C)Cc1ccc(C(=O)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid?
The InChIKey is RMDUIMOQCGFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)10-11-4-6-12(7-5-11)14(19)16(3)9-8-13(17)18/h4-7H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid?
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).