2-amino-4-dimethoxyphosphorylbutanoic acid

C6H14NO5P — CID 14607816

IUPAC2-amino-4-dimethoxyphosphorylbutanoic acid
SMILESCOP(=O)(CCC(N)C(=O)O)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBJKFOOZDNGBDKB-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.27
Rot. Bonds6

About 2-amino-4-dimethoxyphosphorylbutanoic acid

2-amino-4-dimethoxyphosphorylbutanoic acid (PubChem CID 14607816) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-amino-4-dimethoxyphosphorylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-dimethoxyphosphorylbutanoic acid
PubChem CID14607816
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name2-amino-4-dimethoxyphosphorylbutanoic acid
SMILESCOP(=O)(CCC(N)C(=O)O)OC
InChIInChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyBJKFOOZDNGBDKB-UHFFFAOYSA-N
XLogP0.27
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
2-amino-4-diphenoxyphosphorylbutanoic acid
CID 23582839
(2S)-2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid;methane;sulfane
CID 159381825
2-amino-5-methoxypentanoic acid
CID 18361135
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
CID 11499981
(2S)-2-amino-N-(dimethoxyphosphorylmethyl)propanamide
CID 54500040

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-dimethoxyphosphorylbutanoic acid?
The IUPAC name of 2-amino-4-dimethoxyphosphorylbutanoic acid (CID 14607816) is 2-amino-4-dimethoxyphosphorylbutanoic acid.
What is the SMILES notation for 2-amino-4-dimethoxyphosphorylbutanoic acid?
The canonical SMILES for 2-amino-4-dimethoxyphosphorylbutanoic acid is COP(=O)(CCC(N)C(=O)O)OC.
What is the InChIKey of 2-amino-4-dimethoxyphosphorylbutanoic acid?
The InChIKey is BJKFOOZDNGBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-4-dimethoxyphosphorylbutanoic acid?
2-amino-4-dimethoxyphosphorylbutanoic acid has a molecular weight of 211.15 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-dimethoxyphosphorylbutanoic acid is sourced from PubChem (CID 14607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).