sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride

C5H13NNaO4P — CID 173033369

IUPACsodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
SMILESCP(=O)(O)CCC(N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H12NO4P.Na.H/c1-11(9,10)3-2-4(6)5(7)8;;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyWFSRHFDOMSRTMN-UHFFFAOYSA-N
MW205.13 g/mol
LogP-3.19
Rot. Bonds4

About sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride

sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride (PubChem CID 173033369) has the molecular formula C5H13NNaO4P and a molecular weight of 205.13 g/mol. Its IUPAC name is sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride.

Molecular Properties

Compound Namesodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
PubChem CID173033369
Molecular FormulaC5H13NNaO4P
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Namesodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
SMILESCP(=O)(O)CCC(N)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H12NO4P.Na.H/c1-11(9,10)3-2-4(6)5(7)8;;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyWFSRHFDOMSRTMN-UHFFFAOYSA-N
XLogP-3.19
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 5-3.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
CID 11499981
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 167231881
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride?
The IUPAC name of sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride (CID 173033369) is sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride.
What is the SMILES notation for sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride?
The canonical SMILES for sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride is CP(=O)(O)CCC(N)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride?
The InChIKey is WFSRHFDOMSRTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P.Na.H/c1-11(9,10)3-2-4(6)5(7)8;;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);;/q;+1;-1.
What are the key properties of sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride?
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride has a molecular weight of 205.13 g/mol, XLogP of -3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride is sourced from PubChem (CID 173033369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).