(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid

C9H8BrNO6 — CID 106851139

IUPAC(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccoc1Br)C(=O)O
InChIInChI=1S/C9H8BrNO6/c10-7-4(1-2-17-7)8(14)11-5(9(15)16)3-6(12)13/h1-2,5H,3H2,(H,11,14)(H,12,13)(H,15,16)/t5-/m1/s1
InChIKeyDGJUVRXVJMFJFD-RXMQYKEDSA-N
MW306.07 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid

(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid (PubChem CID 106851139) has the molecular formula C9H8BrNO6 and a molecular weight of 306.07 g/mol. Its IUPAC name is (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
PubChem CID106851139
Molecular FormulaC9H8BrNO6
Molecular Weight306.07 g/mol
Exact Mass304.95
IUPAC Name(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccoc1Br)C(=O)O
InChIInChI=1S/C9H8BrNO6/c10-7-4(1-2-17-7)8(14)11-5(9(15)16)3-6(12)13/h1-2,5H,3H2,(H,11,14)(H,12,13)(H,15,16)/t5-/m1/s1
InChIKeyDGJUVRXVJMFJFD-RXMQYKEDSA-N
XLogP0.70
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid
CID 106851140
2-[(2-bromofuran-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 106850886
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid
CID 3043783
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
(2S)-2-[(2-bromopyridine-4-carbonyl)amino]butanedioic acid
CID 114037388
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
diethyl 2-[(2-bromofuran-3-carbonyl)amino]propanedioate
CID 106855266
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid?
The IUPAC name of (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid (CID 106851139) is (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid?
The canonical SMILES for (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid is O=C(O)C[C@@H](NC(=O)c1ccoc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid?
The InChIKey is DGJUVRXVJMFJFD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8BrNO6/c10-7-4(1-2-17-7)8(14)11-5(9(15)16)3-6(12)13/h1-2,5H,3H2,(H,11,14)(H,12,13)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid?
(2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid has a molecular weight of 306.07 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromofuran-3-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 106851139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).