2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid

C10H14BrNO3 — CID 104654065

IUPAC2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(C)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12(3)7(2)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKeyJZBJMLQNXBIIKB-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid

2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid (PubChem CID 104654065) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid
PubChem CID104654065
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(C)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12(3)7(2)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKeyJZBJMLQNXBIIKB-UHFFFAOYSA-N
XLogP2.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-bromofuran-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426260
2-[1-(5-bromo-1-benzofuran-2-yl)ethyl-methylamino]propanoic acid
CID 65059790
2-[1-(5-bromofuran-2-yl)ethyl-prop-2-enylamino]acetic acid
CID 104654114
4-[1-(5-bromofuran-2-yl)ethyl-propan-2-ylamino]butanoic acid
CID 104654056
N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651570
1-(5-bromofuran-2-yl)ethyl acetate
CID 174586454
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 104653793
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
(2R)-2-(4-bromo-N-methylanilino)propanoic acid
CID 100519053
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
CID 83826119

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid?
The IUPAC name of 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid (CID 104654065) is 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(C)c1ccc(Br)o1.
What is the InChIKey of 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid?
The InChIKey is JZBJMLQNXBIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12(3)7(2)10(13)14/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid?
2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid has a molecular weight of 276.13 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromofuran-2-yl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 104654065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).