4-methyl-3-phenylpentanoic acid

C12H16O2 — CID 3249521

IUPAC4-methyl-3-phenylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChIKeyQTSNMZCWXXMRTK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.90
Rot. Bonds4

About 4-methyl-3-phenylpentanoic acid

4-methyl-3-phenylpentanoic acid (PubChem CID 3249521) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-3-phenylpentanoic acid.

Molecular Properties

Compound Name4-methyl-3-phenylpentanoic acid
PubChem CID3249521
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methyl-3-phenylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChIKeyQTSNMZCWXXMRTK-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-phenylpentanamide
CID 66616845
3,4-diphenylhexanoic acid
CID 153127747
4-(methylamino)-3-phenylpentanoic acid;hydrochloride
CID 13300364
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
(2S,3S)-2-amino-3-phenylpentanedioic acid
CID 907743
[(2S,3S)-4-carboxy-1-fluoro-3-phenylbutan-2-yl]azanium
CID 91928909
2-diazo-6-methyl-5-phenylheptan-3-one
CID 85167387
2-phenylbutanedioic acid
CID 161009404
4,4-dichloro-3-phenyl-N-propan-2-ylbutanamide
CID 11265788
europium;tris(2-phenylbutanedioic acid)
CID 156846982
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
2-(1-phenylethyl)butanedioic acid
CID 2837676

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylpentanoic acid?
The IUPAC name of 4-methyl-3-phenylpentanoic acid (CID 3249521) is 4-methyl-3-phenylpentanoic acid.
What is the SMILES notation for 4-methyl-3-phenylpentanoic acid?
The canonical SMILES for 4-methyl-3-phenylpentanoic acid is CC(C)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-3-phenylpentanoic acid?
The InChIKey is QTSNMZCWXXMRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-3-phenylpentanoic acid?
4-methyl-3-phenylpentanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylpentanoic acid is sourced from PubChem (CID 3249521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).