2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid

C11H16BrNO3 — CID 82344547

IUPAC2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NCc1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H16BrNO3/c1-3-7(2)10(11(14)15)13-6-8-4-5-9(12)16-8/h4-5,7,10,13H,3,6H2,1-2H3,(H,14,15)
InChIKeySBWIRHZWDBTQSA-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.63
Rot. Bonds6

About 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid

2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid (PubChem CID 82344547) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
PubChem CID82344547
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NCc1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H16BrNO3/c1-3-7(2)10(11(14)15)13-6-8-4-5-9(12)16-8/h4-5,7,10,13H,3,6H2,1-2H3,(H,14,15)
InChIKeySBWIRHZWDBTQSA-UHFFFAOYSA-N
XLogP2.63
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[(5-methylfuran-2-yl)methylamino]pentanoate
CID 43732325
(2S,3S)-2-[(2-bromophenyl)methylamino]-3-methylpentanoic acid
CID 120510398
2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62696800
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
2-[(3-bromophenyl)methylamino]-3-methylpentanoic acid
CID 5005575
2-[(4,5-dibromofuran-2-yl)methylamino]-3-methylbutanoic acid
CID 62084674
2-[(4-chlorophenyl)methylamino]-3-methylpentanoic acid
CID 14259258
N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734675
(2S,3S)-2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 120510431
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid (CID 82344547) is 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid is CCC(C)C(NCc1ccc(Br)o1)C(=O)O.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid?
The InChIKey is SBWIRHZWDBTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-3-7(2)10(11(14)15)13-6-8-4-5-9(12)16-8/h4-5,7,10,13H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid?
2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid has a molecular weight of 290.16 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid is sourced from PubChem (CID 82344547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).