2-methyl-4-phosphorosobutanoic acid

C5H9O3P — CID 56613842

IUPAC2-methyl-4-phosphorosobutanoic acid
SMILESCC(CCP=O)C(=O)O
InChIInChI=1S/C5H9O3P/c1-4(5(6)7)2-3-9-8/h4H,2-3H2,1H3,(H,6,7)
InChIKeyZXZVQIVUDUCFCO-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-4-phosphorosobutanoic acid

2-methyl-4-phosphorosobutanoic acid (PubChem CID 56613842) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is 2-methyl-4-phosphorosobutanoic acid.

Molecular Properties

Compound Name2-methyl-4-phosphorosobutanoic acid
PubChem CID56613842
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Name2-methyl-4-phosphorosobutanoic acid
SMILESCC(CCP=O)C(=O)O
InChIInChI=1S/C5H9O3P/c1-4(5(6)7)2-3-9-8/h4H,2-3H2,1H3,(H,6,7)
InChIKeyZXZVQIVUDUCFCO-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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

5-hydroxy-2-methylhexanoic acid
CID 19873756
4-phosphorosobutan-2-ol
CID 154169603
sodium;4-chloro-2-methylbutanoic acid;hydride
CID 174487019
CID 159174397
CID 159174397
4-amino-2-methylbutanoic acid
CID 3759025
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
4-[bis(3-carboxybutyl)phosphanyl]-2-methylbutanoic acid
CID 90308708
2,11-dimethyldodecanoic acid
CID 22251841
calcium;hydride;2-methylpentanedioic acid
CID 173414295
2,9-dimethyldecanoic acid
CID 22251838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phosphorosobutanoic acid?
The IUPAC name of 2-methyl-4-phosphorosobutanoic acid (CID 56613842) is 2-methyl-4-phosphorosobutanoic acid.
What is the SMILES notation for 2-methyl-4-phosphorosobutanoic acid?
The canonical SMILES for 2-methyl-4-phosphorosobutanoic acid is CC(CCP=O)C(=O)O.
What is the InChIKey of 2-methyl-4-phosphorosobutanoic acid?
The InChIKey is ZXZVQIVUDUCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c1-4(5(6)7)2-3-9-8/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-methyl-4-phosphorosobutanoic acid?
2-methyl-4-phosphorosobutanoic acid has a molecular weight of 148.10 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phosphorosobutanoic acid is sourced from PubChem (CID 56613842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).