4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid

C11H14BrNO4 — CID 119204071

IUPAC4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1coc(Br)c1
InChIInChI=1S/C11H14BrNO4/c1-11(2,4-3-9(14)15)13-10(16)7-5-8(12)17-6-7/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYCKBDTIFHAKYOP-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.42
Rot. Bonds5

About 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid

4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119204071) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119204071
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1coc(Br)c1
InChIInChI=1S/C11H14BrNO4/c1-11(2,4-3-9(14)15)13-10(16)7-5-8(12)17-6-7/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYCKBDTIFHAKYOP-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(5-iodothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 79685646
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-(1,3-benzothiazole-6-carbonylamino)-4-methylpentanoic acid
CID 62041776
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid (CID 119204071) is 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1coc(Br)c1.
What is the InChIKey of 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YCKBDTIFHAKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-11(2,4-3-9(14)15)13-10(16)7-5-8(12)17-6-7/h5-6H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid?
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 304.14 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).