(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid

C11H14BrNO4 — CID 30077278

IUPAC(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H14BrNO4/c1-6(2)5-7(11(15)16)13-10(14)8-3-4-9(12)17-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyZQSIIOTTYFXNRL-SSDOTTSWSA-N
MW304.14 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 30077278) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID30077278
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H14BrNO4/c1-6(2)5-7(11(15)16)13-10(14)8-3-4-9(12)17-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyZQSIIOTTYFXNRL-SSDOTTSWSA-N
XLogP2.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
(2S)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361264
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119361530
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid (CID 30077278) is (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ZQSIIOTTYFXNRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-6(2)5-7(11(15)16)13-10(14)8-3-4-9(12)17-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 304.14 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 30077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).