(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid

C7H20N4O8P2 — CID 175759934

IUPAC(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid
SMILESCC(C)[C@H](N)C(=O)OP(N)(=O)O.NCC(=O)OP(N)(=O)O
InChIInChI=1S/C5H13N2O4P.C2H7N2O4P/c1-3(2)4(6)5(8)11-12(7,9)10;3-1-2(5)8-9(4,6)7/h3-4H,6H2,1-2H3,(H3,7,9,10);1,3H2,(H3,4,6,7)/t4-;/m0./s1
InChIKeyAZPKNYLXFDIACL-WCCKRBBISA-N
MW350.21 g/mol
LogP-1.88
Rot. Bonds5

About (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid

(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid (PubChem CID 175759934) has the molecular formula C7H20N4O8P2 and a molecular weight of 350.21 g/mol. Its IUPAC name is (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid.

Molecular Properties

Compound Name(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid
PubChem CID175759934
Molecular FormulaC7H20N4O8P2
Molecular Weight350.21 g/mol
Exact Mass350.08
IUPAC Name(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid
SMILESCC(C)[C@H](N)C(=O)OP(N)(=O)O.NCC(=O)OP(N)(=O)O
InChIInChI=1S/C5H13N2O4P.C2H7N2O4P/c1-3(2)4(6)5(8)11-12(7,9)10;3-1-2(5)8-9(4,6)7/h3-4H,6H2,1-2H3,(H3,7,9,10);1,3H2,(H3,4,6,7)/t4-;/m0./s1
InChIKeyAZPKNYLXFDIACL-WCCKRBBISA-N
XLogP-1.88
TPSA231.28 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimethoxyphosphoryl 2-aminoacetate
CID 150492348
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
CID 175062264
[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
CID 174702024
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
calcium (2-aminoacetyl) phosphate
CID 170308225
dipotassium;(2-aminoacetyl) phosphate
CID 22483641
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
phosphono (3R)-3-aminobutanoate
CID 118530931
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
CID 175513971
iodo 2-amino-3-methylbutanoate
CID 76549706
methyl 2-amino-3-methylbutanoate chloride
CID 3083912

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid?
The IUPAC name of (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid (CID 175759934) is (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid.
What is the SMILES notation for (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid?
The canonical SMILES for (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid is CC(C)[C@H](N)C(=O)OP(N)(=O)O.NCC(=O)OP(N)(=O)O.
What is the InChIKey of (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid?
The InChIKey is AZPKNYLXFDIACL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H13N2O4P.C2H7N2O4P/c1-3(2)4(6)5(8)11-12(7,9)10;3-1-2(5)8-9(4,6)7/h3-4H,6H2,1-2H3,(H3,7,9,10);1,3H2,(H3,4,6,7)/t4-;/m0./s1.
What are the key properties of (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid?
(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid has a molecular weight of 350.21 g/mol, XLogP of -1.88, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid is sourced from PubChem (CID 175759934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).