(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid

C6H16N2O7P2 — CID 154186922

IUPAC(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid
SMILES[H]/N=C(\C)C(C)C(N)C(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C6H16N2O7P2/c1-3(4(2)7)5(8)6(9,16(10,11)12)17(13,14)15/h3,5,7,9H,8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)/b7-4+
InChIKeySTRSOGNZTNWCDT-QPJJXVBHSA-N
MW290.15 g/mol
LogP-1.01
Rot. Bonds5

About (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid

(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid (PubChem CID 154186922) has the molecular formula C6H16N2O7P2 and a molecular weight of 290.15 g/mol. Its IUPAC name is (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid
PubChem CID154186922
Molecular FormulaC6H16N2O7P2
Molecular Weight290.15 g/mol
Exact Mass290.04
IUPAC Name(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid
SMILES[H]/N=C(\C)C(C)C(N)C(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C6H16N2O7P2/c1-3(4(2)7)5(8)6(9,16(10,11)12)17(13,14)15/h3,5,7,9H,8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)/b7-4+
InChIKeySTRSOGNZTNWCDT-QPJJXVBHSA-N
XLogP-1.01
TPSA185.16 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-methylbutan-2-imine
CID 20811318
(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid
CID 57238811
4-methoxy-3-methylpentan-2-imine
CID 174533690
3-amino-4-iminopentan-2-one
CID 143689653
(5-amino-1-hydroxy-2-methyl-1-phosphonopentyl)phosphonic acid
CID 87843654
[1-hydroxy-3-imino-4-(methylamino)-1-phosphonopentyl]phosphonic acid
CID 57305656
2-amino-3-iminobutanoyl chloride;hydrochloride
CID 88808185
(2,2-dibromo-1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 54093847
(2-amino-1-hydroxy-4-methylselanyl-1-phosphonobutyl)phosphonic acid
CID 174996759
2-amino-3-iminobutanethioamide
CID 123398026
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
(4-amino-4-imino-2-phosphonobutan-2-yl)phosphonic acid
CID 154148068

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid?
The IUPAC name of (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid (CID 154186922) is (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid.
What is the SMILES notation for (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid?
The canonical SMILES for (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid is [H]/N=C(\C)C(C)C(N)C(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid?
The InChIKey is STRSOGNZTNWCDT-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H16N2O7P2/c1-3(4(2)7)5(8)6(9,16(10,11)12)17(13,14)15/h3,5,7,9H,8H2,1-2H3,(H2,10,11,12)(H2,13,14,15)/b7-4+.
What are the key properties of (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid?
(2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid has a molecular weight of 290.15 g/mol, XLogP of -1.01, 5 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxy-4-imino-3-methyl-1-phosphonopentyl)phosphonic acid is sourced from PubChem (CID 154186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).