3-[3-(4-methylphenyl)pentanoylamino]propanoic acid

C15H21NO3 — CID 119177620

IUPAC3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
SMILESCCC(CC(=O)NCCC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-6-4-11(2)5-7-13)10-14(17)16-9-8-15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBVKCKUFCOYMNJA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds7

About 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid

3-[3-(4-methylphenyl)pentanoylamino]propanoic acid (PubChem CID 119177620) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
PubChem CID119177620
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
SMILESCCC(CC(=O)NCCC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-6-4-11(2)5-7-13)10-14(17)16-9-8-15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBVKCKUFCOYMNJA-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
CID 119220552
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808
N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
CID 119585731
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
CID 110355468
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
4-(2-hydroxyethylamino)-2-(4-methylphenyl)-4-oxobutanoic acid
CID 79437298
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110354796
3-[[(3R)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]propanoic acid;hydrochloride
CID 44667355
3-(4-methylphenyl)hexanoic acid
CID 23456891

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The IUPAC name of 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid (CID 119177620) is 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid is CCC(CC(=O)NCCC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
The InChIKey is BVKCKUFCOYMNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12(13-6-4-11(2)5-7-13)10-14(17)16-9-8-15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid?
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)pentanoylamino]propanoic acid is sourced from PubChem (CID 119177620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).