[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium

C9H24N2O2P+ — CID 89457971

IUPAC[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium
SMILESCCC(C(N)CP(C)(=O)O)[N+](C)(C)C
InChIInChI=1S/C9H23N2O2P/c1-6-9(11(2,3)4)8(10)7-14(5,12)13/h8-9H,6-7,10H2,1-5H3/p+1
InChIKeyLWCUZPQXWFUACE-UHFFFAOYSA-O
MW223.28 g/mol
LogP0.70
Rot. Bonds5

About [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium

[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium (PubChem CID 89457971) has the molecular formula C9H24N2O2P+ and a molecular weight of 223.28 g/mol. Its IUPAC name is [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium.

Molecular Properties

Compound Name[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium
PubChem CID89457971
Molecular FormulaC9H24N2O2P+
Molecular Weight223.28 g/mol
Exact Mass223.16
IUPAC Name[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium
SMILESCCC(C(N)CP(C)(=O)O)[N+](C)(C)C
InChIInChI=1S/C9H23N2O2P/c1-6-9(11(2,3)4)8(10)7-14(5,12)13/h8-9H,6-7,10H2,1-5H3/p+1
InChIKeyLWCUZPQXWFUACE-UHFFFAOYSA-O
XLogP0.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
[3-hydroxy-4-[hydroxy(methyl)phosphoryl]butan-2-yl]-trimethylazanium
CID 89457972
1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
methyl-(2-methyl-3-oxobutyl)phosphinic acid
CID 59235819
2-ethylbutylphosphonamidic acid
CID 22717998
[(2R)-2-amino-3-methylbutyl]phosphonic acid
CID 102215252
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
1-dimethylphosphorylpropan-1-ol
CID 59649408
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium?
The IUPAC name of [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium (CID 89457971) is [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium.
What is the SMILES notation for [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium?
The canonical SMILES for [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium is CCC(C(N)CP(C)(=O)O)[N+](C)(C)C.
What is the InChIKey of [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium?
The InChIKey is LWCUZPQXWFUACE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H23N2O2P/c1-6-9(11(2,3)4)8(10)7-14(5,12)13/h8-9H,6-7,10H2,1-5H3/p+1.
What are the key properties of [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium?
[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium has a molecular weight of 223.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium is sourced from PubChem (CID 89457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).