(2S)-2-(dibromoamino)-4-methylpentanoic acid

C6H11Br2NO2 — CID 57045725

IUPAC(2S)-2-(dibromoamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(Br)Br
InChIInChI=1S/C6H11Br2NO2/c1-4(2)3-5(6(10)11)9(7)8/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyHJFWUSUVAUZCQI-YFKPBYRVSA-N
MW288.97 g/mol
LogP2.41
Rot. Bonds4

About (2S)-2-(dibromoamino)-4-methylpentanoic acid

(2S)-2-(dibromoamino)-4-methylpentanoic acid (PubChem CID 57045725) has the molecular formula C6H11Br2NO2 and a molecular weight of 288.97 g/mol. Its IUPAC name is (2S)-2-(dibromoamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibromoamino)-4-methylpentanoic acid
PubChem CID57045725
Molecular FormulaC6H11Br2NO2
Molecular Weight288.97 g/mol
Exact Mass286.92
IUPAC Name(2S)-2-(dibromoamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(Br)Br
InChIInChI=1S/C6H11Br2NO2/c1-4(2)3-5(6(10)11)9(7)8/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyHJFWUSUVAUZCQI-YFKPBYRVSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibromoamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(dibromoamino)-4-methylpentanoic acid (CID 57045725) is (2S)-2-(dibromoamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(dibromoamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(dibromoamino)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N(Br)Br.
What is the InChIKey of (2S)-2-(dibromoamino)-4-methylpentanoic acid?
The InChIKey is HJFWUSUVAUZCQI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11Br2NO2/c1-4(2)3-5(6(10)11)9(7)8/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(dibromoamino)-4-methylpentanoic acid?
(2S)-2-(dibromoamino)-4-methylpentanoic acid has a molecular weight of 288.97 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibromoamino)-4-methylpentanoic acid is sourced from PubChem (CID 57045725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).