[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid

C6H14N3O5P — CID 23728613

IUPAC[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
SMILESNC(=O)CCC(NCP(=O)(O)O)C(N)=O
InChIInChI=1S/C6H14N3O5P/c7-5(10)2-1-4(6(8)11)9-3-15(12,13)14/h4,9H,1-3H2,(H2,7,10)(H2,8,11)(H2,12,13,14)
InChIKeyXHSKIHLPSXWYIR-UHFFFAOYSA-N
MW239.17 g/mol
LogP-2.17
Rot. Bonds7

About [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid

[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid (PubChem CID 23728613) has the molecular formula C6H14N3O5P and a molecular weight of 239.17 g/mol. Its IUPAC name is [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
PubChem CID23728613
Molecular FormulaC6H14N3O5P
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
SMILESNC(=O)CCC(NCP(=O)(O)O)C(N)=O
InChIInChI=1S/C6H14N3O5P/c7-5(10)2-1-4(6(8)11)9-3-15(12,13)14/h4,9H,1-3H2,(H2,7,10)(H2,8,11)(H2,12,13,14)
InChIKeyXHSKIHLPSXWYIR-UHFFFAOYSA-N
XLogP-2.17
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
[[(2S)-1-amino-4-ethylsulfanyl-1-oxobutan-2-yl]amino]methylphosphonic acid
CID 46931399
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(4S)-5-amino-4-(diethoxyphosphorylmethylamino)-5-oxopentanoic acid
CID 46931731
5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
CID 87478022
2-[(2-sulfanylacetyl)amino]pentanediamide
CID 172744013
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]pentanediamide
CID 57029014
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
7-amino-7-imino-2-(phosphonomethylamino)heptanoic acid
CID 23728533
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772

Frequently Asked Questions

What is the IUPAC name of [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid?
The IUPAC name of [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid (CID 23728613) is [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid.
What is the SMILES notation for [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid?
The canonical SMILES for [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid is NC(=O)CCC(NCP(=O)(O)O)C(N)=O.
What is the InChIKey of [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid?
The InChIKey is XHSKIHLPSXWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3O5P/c7-5(10)2-1-4(6(8)11)9-3-15(12,13)14/h4,9H,1-3H2,(H2,7,10)(H2,8,11)(H2,12,13,14).
What are the key properties of [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid?
[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid has a molecular weight of 239.17 g/mol, XLogP of -2.17, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid is sourced from PubChem (CID 23728613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).