(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid

C9H10BrNO4 — CID 103791126

IUPAC(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1cc(Br)oc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H10BrNO4/c1-4-3-6(10)15-7(4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyPJSNYGLYHROTOC-RXMQYKEDSA-N
MW276.09 g/mol
LogP1.55
Rot. Bonds3

About (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid

(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 103791126) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
PubChem CID103791126
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1cc(Br)oc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H10BrNO4/c1-4-3-6(10)15-7(4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyPJSNYGLYHROTOC-RXMQYKEDSA-N
XLogP1.55
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
CID 103791172
(2S)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361264
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213277
5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
CID 55824302
4-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 119201012
methyl (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-3-ethylpentanoate
CID 95781042
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid (CID 103791126) is (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid is Cc1cc(Br)oc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is PJSNYGLYHROTOC-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-4-3-6(10)15-7(4)8(12)11-5(2)9(13)14/h3,5H,1-2H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid?
(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 276.09 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103791126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).