3-(3-methyl-N-propanoylanilino)propanoic acid

C13H17NO3 — CID 28764164

IUPAC3-(3-methyl-N-propanoylanilino)propanoic acid
SMILESCCC(=O)N(CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C13H17NO3/c1-3-12(15)14(8-7-13(16)17)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyRILPVUCSZHIZTG-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.21
Rot. Bonds5

About 3-(3-methyl-N-propanoylanilino)propanoic acid

3-(3-methyl-N-propanoylanilino)propanoic acid (PubChem CID 28764164) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(3-methyl-N-propanoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-N-propanoylanilino)propanoic acid
PubChem CID28764164
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(3-methyl-N-propanoylanilino)propanoic acid
SMILESCCC(=O)N(CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C13H17NO3/c1-3-12(15)14(8-7-13(16)17)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyRILPVUCSZHIZTG-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119
3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-[N-(2,2-difluoroethyl)-3-methylanilino]propanoic acid
CID 154398395
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-N-propanoylanilino)propanoic acid?
The IUPAC name of 3-(3-methyl-N-propanoylanilino)propanoic acid (CID 28764164) is 3-(3-methyl-N-propanoylanilino)propanoic acid.
What is the SMILES notation for 3-(3-methyl-N-propanoylanilino)propanoic acid?
The canonical SMILES for 3-(3-methyl-N-propanoylanilino)propanoic acid is CCC(=O)N(CCC(=O)O)c1cccc(C)c1.
What is the InChIKey of 3-(3-methyl-N-propanoylanilino)propanoic acid?
The InChIKey is RILPVUCSZHIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-12(15)14(8-7-13(16)17)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methyl-N-propanoylanilino)propanoic acid?
3-(3-methyl-N-propanoylanilino)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-N-propanoylanilino)propanoic acid is sourced from PubChem (CID 28764164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).