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

C9H9BrN2O5 — CID 30118248

IUPAC(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C9H9BrN2O5/c10-6-2-1-5(17-6)8(14)12-4(9(15)16)3-7(11)13/h1-2,4H,3H2,(H2,11,13)(H,12,14)(H,15,16)/t4-/m1/s1
InChIKeyOXIJOHUDYBKWIG-SCSAIBSYSA-N
MW305.08 g/mol
LogP0.10
Rot. Bonds5

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

(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 30118248) has the molecular formula C9H9BrN2O5 and a molecular weight of 305.08 g/mol. Its IUPAC name is (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID30118248
Molecular FormulaC9H9BrN2O5
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C9H9BrN2O5/c10-6-2-1-5(17-6)8(14)12-4(9(15)16)3-7(11)13/h1-2,4H,3H2,(H2,11,13)(H,12,14)(H,15,16)/t4-/m1/s1
InChIKeyOXIJOHUDYBKWIG-SCSAIBSYSA-N
XLogP0.10
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 43183438
(2R)-4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 28778450
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
CID 43209858
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
(2R)-4-amino-2-[(3,5-dibromobenzoyl)amino]-4-oxobutanoic acid
CID 114022564
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
4-amino-2-[(3-bromobenzoyl)amino]-4-oxobutanoic acid
CID 24693230
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid (CID 30118248) is (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is OXIJOHUDYBKWIG-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H9BrN2O5/c10-6-2-1-5(17-6)8(14)12-4(9(15)16)3-7(11)13/h1-2,4H,3H2,(H2,11,13)(H,12,14)(H,15,16)/t4-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 305.08 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 30118248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).