5-phenylpentanoic acid;2-phosphonoacetic acid

C13H19O7P — CID 67686040

IUPAC5-phenylpentanoic acid;2-phosphonoacetic acid
SMILESO=C(O)CCCCc1ccccc1.O=C(O)CP(=O)(O)O
InChIInChI=1S/C11H14O2.C2H5O5P/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;3-2(4)1-8(5,6)7/h1-3,6-7H,4-5,8-9H2,(H,12,13);1H2,(H,3,4)(H2,5,6,7)
InChIKeyGFQASTGOWJOCMB-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.73
Rot. Bonds7

About 5-phenylpentanoic acid;2-phosphonoacetic acid

5-phenylpentanoic acid;2-phosphonoacetic acid (PubChem CID 67686040) has the molecular formula C13H19O7P and a molecular weight of 318.26 g/mol. Its IUPAC name is 5-phenylpentanoic acid;2-phosphonoacetic acid.

Molecular Properties

Compound Name5-phenylpentanoic acid;2-phosphonoacetic acid
PubChem CID67686040
Molecular FormulaC13H19O7P
Molecular Weight318.26 g/mol
Exact Mass318.09
IUPAC Name5-phenylpentanoic acid;2-phosphonoacetic acid
SMILESO=C(O)CCCCc1ccccc1.O=C(O)CP(=O)(O)O
InChIInChI=1S/C11H14O2.C2H5O5P/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;3-2(4)1-8(5,6)7/h1-3,6-7H,4-5,8-9H2,(H,12,13);1H2,(H,3,4)(H2,5,6,7)
InChIKeyGFQASTGOWJOCMB-UHFFFAOYSA-N
XLogP1.73
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-phenylpentanoic acid;2-phosphonoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-phenylpentadecanoic acid
CID 2737151
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
1,9-diphenylnonan-5-one
CID 23467830
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
potassium 15-phenylpentadecanoate
CID 23717018
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
10-naphthalen-2-yldecanoic acid
CID 21478009
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentanoic acid;2-phosphonoacetic acid?
The IUPAC name of 5-phenylpentanoic acid;2-phosphonoacetic acid (CID 67686040) is 5-phenylpentanoic acid;2-phosphonoacetic acid.
What is the SMILES notation for 5-phenylpentanoic acid;2-phosphonoacetic acid?
The canonical SMILES for 5-phenylpentanoic acid;2-phosphonoacetic acid is O=C(O)CCCCc1ccccc1.O=C(O)CP(=O)(O)O.
What is the InChIKey of 5-phenylpentanoic acid;2-phosphonoacetic acid?
The InChIKey is GFQASTGOWJOCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H5O5P/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;3-2(4)1-8(5,6)7/h1-3,6-7H,4-5,8-9H2,(H,12,13);1H2,(H,3,4)(H2,5,6,7).
What are the key properties of 5-phenylpentanoic acid;2-phosphonoacetic acid?
5-phenylpentanoic acid;2-phosphonoacetic acid has a molecular weight of 318.26 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentanoic acid;2-phosphonoacetic acid is sourced from PubChem (CID 67686040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).