2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid

C13H18N2O3 — CID 62637248

IUPAC2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(13(17)18)15(2)9-8-12(16)14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVZGNKNBHXKVSRP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds6

About 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid

2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid (PubChem CID 62637248) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
PubChem CID62637248
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(13(17)18)15(2)9-8-12(16)14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVZGNKNBHXKVSRP-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-[[3-(3-methoxyanilino)-3-oxopropyl]-methylamino]propanoic acid;hydrochloride
CID 119913523
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119913138
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
2-[methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119912479

Frequently Asked Questions

What is the IUPAC name of 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid (CID 62637248) is 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)CCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
The InChIKey is VZGNKNBHXKVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(13(17)18)15(2)9-8-12(16)14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid?
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid is sourced from PubChem (CID 62637248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).