4-methyl-2-(phosphonomethyl)pentanoic acid

C7H15O5P — CID 151960225

IUPAC4-methyl-2-(phosphonomethyl)pentanoic acid
SMILESCC(C)CC(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H15O5P/c1-5(2)3-6(7(8)9)4-13(10,11)12/h5-6H,3-4H2,1-2H3,(H,8,9)(H2,10,11,12)
InChIKeyTYMNPUOQETXTCT-UHFFFAOYSA-N
MW210.17 g/mol
LogP0.91
Rot. Bonds5

About 4-methyl-2-(phosphonomethyl)pentanoic acid

4-methyl-2-(phosphonomethyl)pentanoic acid (PubChem CID 151960225) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is 4-methyl-2-(phosphonomethyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(phosphonomethyl)pentanoic acid
PubChem CID151960225
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name4-methyl-2-(phosphonomethyl)pentanoic acid
SMILESCC(C)CC(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H15O5P/c1-5(2)3-6(7(8)9)4-13(10,11)12/h5-6H,3-4H2,1-2H3,(H,8,9)(H2,10,11,12)
InChIKeyTYMNPUOQETXTCT-UHFFFAOYSA-N
XLogP0.91
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-amino-3-methylbutyl)-hydroxyphosphoryl]methyl]-4-methylpentanoic acid
CID 11087139
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
(2S,3R)-2-amino-5-methyl-3-(phosphonomethyl)hexanoic acid
CID 139090263
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
2-[[hydroxy(naphthalen-1-ylsulfanylmethyl)phosphoryl]methyl]-4-methylpentanoic acid
CID 57244560
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
4-methyl-2-phosphonooxypentanoic acid
CID 123780215

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(phosphonomethyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(phosphonomethyl)pentanoic acid (CID 151960225) is 4-methyl-2-(phosphonomethyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(phosphonomethyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(phosphonomethyl)pentanoic acid is CC(C)CC(CP(=O)(O)O)C(=O)O.
What is the InChIKey of 4-methyl-2-(phosphonomethyl)pentanoic acid?
The InChIKey is TYMNPUOQETXTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-5(2)3-6(7(8)9)4-13(10,11)12/h5-6H,3-4H2,1-2H3,(H,8,9)(H2,10,11,12).
What are the key properties of 4-methyl-2-(phosphonomethyl)pentanoic acid?
4-methyl-2-(phosphonomethyl)pentanoic acid has a molecular weight of 210.17 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(phosphonomethyl)pentanoic acid is sourced from PubChem (CID 151960225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).