sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride

C8H18N2NaO3P — CID 174273902

IUPACsodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride
SMILESC[C@@H](C=O)NC(=O)C(N)CCP(C)O.[H-].[Na+]
InChIInChI=1S/C8H17N2O3P.Na.H/c1-6(5-11)10-8(12)7(9)3-4-14(2)13;;/h5-7,13H,3-4,9H2,1-2H3,(H,10,12);;/q;+1;-1/t6-,7?,14?;;/m0../s1
InChIKeyZDFLFOOJRDLXBL-HJTUVCQISA-N
MW244.21 g/mol
LogP-3.46
Rot. Bonds6

About sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride

sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride (PubChem CID 174273902) has the molecular formula C8H18N2NaO3P and a molecular weight of 244.21 g/mol. Its IUPAC name is sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride.

Molecular Properties

Compound Namesodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride
PubChem CID174273902
Molecular FormulaC8H18N2NaO3P
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Namesodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride
SMILESC[C@@H](C=O)NC(=O)C(N)CCP(C)O.[H-].[Na+]
InChIInChI=1S/C8H17N2O3P.Na.H/c1-6(5-11)10-8(12)7(9)3-4-14(2)13;;/h5-7,13H,3-4,9H2,1-2H3,(H,10,12);;/q;+1;-1/t6-,7?,14?;;/m0../s1
InChIKeyZDFLFOOJRDLXBL-HJTUVCQISA-N
XLogP-3.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-3.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminobutanoyl)-methyl-N-[(2S)-1-oxopropan-2-yl]phosphonamidic acid
CID 18602643
2-Acetamido-4-[ethoxy(methyl)phosphoryl]butanamide
CID 19961461
2-(methylamino)-N-(1-oxobutan-2-yl)propanamide
CID 54000385
[3-amino-4-oxo-4-[[1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]butyl]-hydroxy-oxophosphanium
CID 90242917
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide
CID 121419257
[(3S)-3-acetamido-4-amino-4-oxobutyl]-(ethoxymethyl)-oxophosphanium
CID 139679551
(2S)-2-acetamido-4-[ethoxy(methyl)phosphoryl]butanamide
CID 141571500
2-amino-N-(2-oxoethyl)butanamide;ethane;propane
CID 144489460
4-[ethoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide
CID 156215523
N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]butanamide
CID 163998663
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]butanamide
CID 164132884
(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide
CID 169186683

Frequently Asked Questions

What is the IUPAC name of sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride?
The IUPAC name of sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride (CID 174273902) is sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride.
What is the SMILES notation for sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride?
The canonical SMILES for sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride is C[C@@H](C=O)NC(=O)C(N)CCP(C)O.[H-].[Na+].
What is the InChIKey of sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride?
The InChIKey is ZDFLFOOJRDLXBL-HJTUVCQISA-N. The full InChI is InChI=1S/C8H17N2O3P.Na.H/c1-6(5-11)10-8(12)7(9)3-4-14(2)13;;/h5-7,13H,3-4,9H2,1-2H3,(H,10,12);;/q;+1;-1/t6-,7?,14?;;/m0../s1.
What are the key properties of sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride?
sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride has a molecular weight of 244.21 g/mol, XLogP of -3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride is sourced from PubChem (CID 174273902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).