2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid

C12H16BrNO2S — CID 60834132

IUPAC2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-11-6-5-10(17-11)7-14(8-12(15)16)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyRYWLNHSHUZKFNX-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.34
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid

2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid (PubChem CID 60834132) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid
PubChem CID60834132
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-11-6-5-10(17-11)7-14(8-12(15)16)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyRYWLNHSHUZKFNX-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-cyclopentylamino]acetic acid
CID 60834283
2-[(5-bromothiophen-2-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656628
2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid
CID 65058362
2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
CID 63019783
2-[[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042225
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[(1,1-dioxothiolan-3-yl)-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65059300
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
2-[N-[(5-bromothiophen-2-yl)methyl]-4-methylanilino]acetic acid
CID 60840253
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
CID 65058304

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid (CID 60834132) is 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid is O=C(O)CN(Cc1ccc(Br)s1)C1CCCC1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid?
The InChIKey is RYWLNHSHUZKFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-11-6-5-10(17-11)7-14(8-12(15)16)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,15,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid?
2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid has a molecular weight of 318.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 60834132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).