2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid

C10H12BrNO3 — CID 62696800

IUPAC2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCc1ccc(Br)o1)C1CC1
InChIInChI=1S/C10H12BrNO3/c11-8-4-3-7(15-8)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14)
InChIKeyYNODSAGSQBKMLY-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.99
Rot. Bonds5

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

2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid (PubChem CID 62696800) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid
PubChem CID62696800
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCc1ccc(Br)o1)C1CC1
InChIInChI=1S/C10H12BrNO3/c11-8-4-3-7(15-8)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14)
InChIKeyYNODSAGSQBKMLY-UHFFFAOYSA-N
XLogP1.99
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methylamino]-3-methylpentanoic acid
CID 82344547
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62697507
2-[(4-bromo-3-methylphenyl)methylamino]-2-cyclopropylacetic acid
CID 66479518
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid (CID 62696800) is 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid is O=C(O)C(NCc1ccc(Br)o1)C1CC1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid?
The InChIKey is YNODSAGSQBKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-4-3-7(15-8)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14).
What are the key properties of 2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid?
2-[(5-bromofuran-2-yl)methylamino]-2-cyclopropylacetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.99, 5 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]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).