(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid

C13H15Br2NO3 — CID 104916277

IUPAC(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C13H15Br2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-6-8(14)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyHOOZXQWFYQSKHA-LLVKDONJSA-N
MW393.08 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid

(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 104916277) has the molecular formula C13H15Br2NO3 and a molecular weight of 393.08 g/mol. Its IUPAC name is (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
PubChem CID104916277
Molecular FormulaC13H15Br2NO3
Molecular Weight393.08 g/mol
Exact Mass390.94
IUPAC Name(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C13H15Br2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-6-8(14)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyHOOZXQWFYQSKHA-LLVKDONJSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-amino-2-bromobenzoyl)amino]-4-methylpentanoic acid
CID 115297303
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
2-[(2,5-dibromobenzoyl)amino]pentanedioic acid
CID 114367907
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
2-[(6-bromo-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188263
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid (CID 104916277) is (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(Br)ccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is HOOZXQWFYQSKHA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15Br2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-6-8(14)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 393.08 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 104916277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).