2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid

C6H12Br2NO5P — CID 143939571

IUPAC2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid
SMILESCC(C)CC(C(=O)O)(N(Br)Br)P(=O)(O)O
InChIInChI=1S/C6H12Br2NO5P/c1-4(2)3-6(5(10)11,9(7)8)15(12,13)14/h4H,3H2,1-2H3,(H,10,11)(H2,12,13,14)
InChIKeyOWTLFZBCAGPWHY-UHFFFAOYSA-N
MW368.95 g/mol
LogP1.91
Rot. Bonds5

About 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid

2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid (PubChem CID 143939571) has the molecular formula C6H12Br2NO5P and a molecular weight of 368.95 g/mol. Its IUPAC name is 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid.

Molecular Properties

Compound Name2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid
PubChem CID143939571
Molecular FormulaC6H12Br2NO5P
Molecular Weight368.95 g/mol
Exact Mass366.88
IUPAC Name2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid
SMILESCC(C)CC(C(=O)O)(N(Br)Br)P(=O)(O)O
InChIInChI=1S/C6H12Br2NO5P/c1-4(2)3-6(5(10)11,9(7)8)15(12,13)14/h4H,3H2,1-2H3,(H,10,11)(H2,12,13,14)
InChIKeyOWTLFZBCAGPWHY-UHFFFAOYSA-N
XLogP1.91
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 139819668
2-(2-hydroxypropyl)-2,4-diphosphonopentanedioic acid
CID 21464979
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
2-bromo-2-butan-2-yloxycarbonyl-4-methylpentanoic acid
CID 88932542

Frequently Asked Questions

What is the IUPAC name of 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid?
The IUPAC name of 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid (CID 143939571) is 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid.
What is the SMILES notation for 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid?
The canonical SMILES for 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid is CC(C)CC(C(=O)O)(N(Br)Br)P(=O)(O)O.
What is the InChIKey of 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid?
The InChIKey is OWTLFZBCAGPWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2NO5P/c1-4(2)3-6(5(10)11,9(7)8)15(12,13)14/h4H,3H2,1-2H3,(H,10,11)(H2,12,13,14).
What are the key properties of 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid?
2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid has a molecular weight of 368.95 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromoamino)-4-methyl-2-phosphonopentanoic acid is sourced from PubChem (CID 143939571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).