2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid

C12H15Br2NO3 — CID 65058362

IUPAC2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(Br)c(Br)o1)C1CCCC1
InChIInChI=1S/C12H15Br2NO3/c13-10-5-9(18-12(10)14)6-15(7-11(16)17)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,16,17)
InChIKeyNXTXLCKASHRZDL-UHFFFAOYSA-N
MW381.06 g/mol
LogP3.63
Rot. Bonds5

About 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid

2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid (PubChem CID 65058362) has the molecular formula C12H15Br2NO3 and a molecular weight of 381.06 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid
PubChem CID65058362
Molecular FormulaC12H15Br2NO3
Molecular Weight381.06 g/mol
Exact Mass378.94
IUPAC Name2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(Br)c(Br)o1)C1CCCC1
InChIInChI=1S/C12H15Br2NO3/c13-10-5-9(18-12(10)14)6-15(7-11(16)17)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,16,17)
InChIKeyNXTXLCKASHRZDL-UHFFFAOYSA-N
XLogP3.63
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-bis[(5-bromofuran-2-yl)methyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 49796753
N',N'-bis[(5-bromofuran-2-yl)methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 49796771
Cambridge id 5422480
CID 3831144
N-[(5-bromo-2-furyl)methyl]-N,1-dimethyl-4-piperidinamine
CID 750981
N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 45822384
N-[(5-bromofuran-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 45884586
(r)-(1-((5-Bromofuran-2-yl)methyl)pyrrolidin-2-yl)methanol
CID 66261469
2-[(5-Bromofuran-2-yl)methylamino]cyclopentan-1-ol
CID 121517790
3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide
CID 134860214
N',N'-bis[(5-bromofuran-2-yl)methyl]butane-1,4-diamine
CID 44371073
N',N'-bis[(5-bromofuran-2-yl)methyl]propane-1,3-diamine
CID 44371292
1-[(5-Bromofuran-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227077

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid (CID 65058362) is 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1cc(Br)c(Br)o1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid?
The InChIKey is NXTXLCKASHRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3/c13-10-5-9(18-12(10)14)6-15(7-11(16)17)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,16,17).
What are the key properties of 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid?
2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid has a molecular weight of 381.06 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 65058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).