2-methyl-2-nitroso-5-phosphonopentanoic acid

C6H12NO6P — CID 174409402

IUPAC2-methyl-2-nitroso-5-phosphonopentanoic acid
SMILESCC(CCCP(=O)(O)O)(N=O)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-6(7-10,5(8)9)3-2-4-14(11,12)13/h2-4H2,1H3,(H,8,9)(H2,11,12,13)
InChIKeyWFKCTMNLTZVZLS-UHFFFAOYSA-N
MW225.14 g/mol
LogP0.55
Rot. Bonds6

About 2-methyl-2-nitroso-5-phosphonopentanoic acid

2-methyl-2-nitroso-5-phosphonopentanoic acid (PubChem CID 174409402) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-methyl-2-nitroso-5-phosphonopentanoic acid.

Molecular Properties

Compound Name2-methyl-2-nitroso-5-phosphonopentanoic acid
PubChem CID174409402
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name2-methyl-2-nitroso-5-phosphonopentanoic acid
SMILESCC(CCCP(=O)(O)O)(N=O)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-6(7-10,5(8)9)3-2-4-14(11,12)13/h2-4H2,1H3,(H,8,9)(H2,11,12,13)
InChIKeyWFKCTMNLTZVZLS-UHFFFAOYSA-N
XLogP0.55
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-4-(prop-2-enoylamino)pentyl]phosphonic acid
CID 87404848
1,4,8-triphosphonooctan-4-ylphosphonic acid
CID 130302868
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
CID 53313139
butylphosphonic acid;neodymium
CID 134499527
3,3-dimethylbutylphosphonic acid
CID 15402429
2-amino-3-fluoro-2,3-dimethyl-5-phosphonopentanoic acid
CID 158798368
potassium;butylphosphonic acid;hydride
CID 174388690
5-phosphonopentylphosphonic acid
CID 2773804
2-phosphono-2-(2-phosphonoethyl)butanedioic acid
CID 12543052
(4-ethoxy-3,3-dimethyl-4-oxobutyl)phosphonic acid
CID 87358725
33-phosphonotritriacontanoic acid
CID 87686825
10-phosphonodecanoic acid
CID 87400342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitroso-5-phosphonopentanoic acid?
The IUPAC name of 2-methyl-2-nitroso-5-phosphonopentanoic acid (CID 174409402) is 2-methyl-2-nitroso-5-phosphonopentanoic acid.
What is the SMILES notation for 2-methyl-2-nitroso-5-phosphonopentanoic acid?
The canonical SMILES for 2-methyl-2-nitroso-5-phosphonopentanoic acid is CC(CCCP(=O)(O)O)(N=O)C(=O)O.
What is the InChIKey of 2-methyl-2-nitroso-5-phosphonopentanoic acid?
The InChIKey is WFKCTMNLTZVZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c1-6(7-10,5(8)9)3-2-4-14(11,12)13/h2-4H2,1H3,(H,8,9)(H2,11,12,13).
What are the key properties of 2-methyl-2-nitroso-5-phosphonopentanoic acid?
2-methyl-2-nitroso-5-phosphonopentanoic acid has a molecular weight of 225.14 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitroso-5-phosphonopentanoic acid is sourced from PubChem (CID 174409402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).