3-phosphorosopentanoic acid

C5H9O3P — CID 87252441

IUPAC3-phosphorosopentanoic acid
SMILESCCC(CC(=O)O)P=O
InChIInChI=1S/C5H9O3P/c1-2-4(9-8)3-5(6)7/h4H,2-3H2,1H3,(H,6,7)
InChIKeyYJOIYQJUAZXXNW-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.53
Rot. Bonds4

About 3-phosphorosopentanoic acid

3-phosphorosopentanoic acid (PubChem CID 87252441) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is 3-phosphorosopentanoic acid.

Molecular Properties

Compound Name3-phosphorosopentanoic acid
PubChem CID87252441
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Name3-phosphorosopentanoic acid
SMILESCCC(CC(=O)O)P=O
InChIInChI=1S/C5H9O3P/c1-2-4(9-8)3-5(6)7/h4H,2-3H2,1H3,(H,6,7)
InChIKeyYJOIYQJUAZXXNW-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-diphosphorosopropanoic acid
CID 20734029
3-hydroxypentanoic acid;methanol
CID 174973747
(2S)-2-ethylbutanedioic acid
CID 6997245
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
3-(dihydroxymethyl)pentanoic acid
CID 87108659
3,4-difluorohexanoic acid
CID 87326869
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
2-bromoacetic acid;2-bromobutanoic acid
CID 161356058
3-methylbutanoic acid
CID 20849036
3-ethylhexanedioic acid
CID 18477236

Frequently Asked Questions

What is the IUPAC name of 3-phosphorosopentanoic acid?
The IUPAC name of 3-phosphorosopentanoic acid (CID 87252441) is 3-phosphorosopentanoic acid.
What is the SMILES notation for 3-phosphorosopentanoic acid?
The canonical SMILES for 3-phosphorosopentanoic acid is CCC(CC(=O)O)P=O.
What is the InChIKey of 3-phosphorosopentanoic acid?
The InChIKey is YJOIYQJUAZXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c1-2-4(9-8)3-5(6)7/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-phosphorosopentanoic acid?
3-phosphorosopentanoic acid has a molecular weight of 148.10 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosopentanoic acid is sourced from PubChem (CID 87252441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).