N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide

C9H11BrN2O3 — CID 130961965

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide
SMILESCc1oc(Br)cc1C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C9H11BrN2O3/c1-4(8(11)13)12-9(14)6-3-7(10)15-5(6)2/h3-4H,1-2H3,(H2,11,13)(H,12,14)/t4-/m1/s1
InChIKeyHDMXLGKMJOOOJM-SCSAIBSYSA-N
MW275.10 g/mol
LogP0.95
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide (PubChem CID 130961965) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide
PubChem CID130961965
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide
SMILESCc1oc(Br)cc1C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C9H11BrN2O3/c1-4(8(11)13)12-9(14)6-3-7(10)15-5(6)2/h3-4H,1-2H3,(H2,11,13)(H,12,14)/t4-/m1/s1
InChIKeyHDMXLGKMJOOOJM-SCSAIBSYSA-N
XLogP0.95
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide (CID 130961965) is N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide is Cc1oc(Br)cc1C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide?
The InChIKey is HDMXLGKMJOOOJM-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-4(8(11)13)12-9(14)6-3-7(10)15-5(6)2/h3-4H,1-2H3,(H2,11,13)(H,12,14)/t4-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide has a molecular weight of 275.10 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide is sourced from PubChem (CID 130961965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).