2-amino-5,5-dibromo-5-phosphonopentanoic acid

C5H10Br2NO5P — CID 87518373

IUPAC2-amino-5,5-dibromo-5-phosphonopentanoic acid
SMILESNC(CCC(Br)(Br)P(=O)(O)O)C(=O)O
InChIInChI=1S/C5H10Br2NO5P/c6-5(7,14(11,12)13)2-1-3(8)4(9)10/h3H,1-2,8H2,(H,9,10)(H2,11,12,13)
InChIKeyOKLMXHUPQUCKQH-UHFFFAOYSA-N
MW354.92 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-5,5-dibromo-5-phosphonopentanoic acid

2-amino-5,5-dibromo-5-phosphonopentanoic acid (PubChem CID 87518373) has the molecular formula C5H10Br2NO5P and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-amino-5,5-dibromo-5-phosphonopentanoic acid.

Molecular Properties

Compound Name2-amino-5,5-dibromo-5-phosphonopentanoic acid
PubChem CID87518373
Molecular FormulaC5H10Br2NO5P
Molecular Weight354.92 g/mol
Exact Mass352.87
IUPAC Name2-amino-5,5-dibromo-5-phosphonopentanoic acid
SMILESNC(CCC(Br)(Br)P(=O)(O)O)C(=O)O
InChIInChI=1S/C5H10Br2NO5P/c6-5(7,14(11,12)13)2-1-3(8)4(9)10/h3H,1-2,8H2,(H,9,10)(H2,11,12,13)
InChIKeyOKLMXHUPQUCKQH-UHFFFAOYSA-N
XLogP0.80
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 118546374
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CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2,5,5-triaminohexanoic acid
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2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
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2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dibromo-5-phosphonopentanoic acid?
The IUPAC name of 2-amino-5,5-dibromo-5-phosphonopentanoic acid (CID 87518373) is 2-amino-5,5-dibromo-5-phosphonopentanoic acid.
What is the SMILES notation for 2-amino-5,5-dibromo-5-phosphonopentanoic acid?
The canonical SMILES for 2-amino-5,5-dibromo-5-phosphonopentanoic acid is NC(CCC(Br)(Br)P(=O)(O)O)C(=O)O.
What is the InChIKey of 2-amino-5,5-dibromo-5-phosphonopentanoic acid?
The InChIKey is OKLMXHUPQUCKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2NO5P/c6-5(7,14(11,12)13)2-1-3(8)4(9)10/h3H,1-2,8H2,(H,9,10)(H2,11,12,13).
What are the key properties of 2-amino-5,5-dibromo-5-phosphonopentanoic acid?
2-amino-5,5-dibromo-5-phosphonopentanoic acid has a molecular weight of 354.92 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dibromo-5-phosphonopentanoic acid is sourced from PubChem (CID 87518373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).