3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid

C13H18N2O3 — CID 60987692

IUPAC3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-15(10-8-13(17)18)9-7-12(16)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyUIGLICIWZLZGDD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds7

About 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid

3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid (PubChem CID 60987692) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
PubChem CID60987692
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-15(10-8-13(17)18)9-7-12(16)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyUIGLICIWZLZGDD-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
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2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
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3-[methyl-[3-(4-nitroanilino)-3-oxopropyl]amino]propanoic acid
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N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid (CID 60987692) is 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid is CN(CCC(=O)O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The InChIKey is UIGLICIWZLZGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(10-8-13(17)18)9-7-12(16)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid is sourced from PubChem (CID 60987692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).