ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate

C11H16BrNO2S — CID 61104183

IUPACethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-2-15-11(14)5-3-4-8(13)9-6-7-10(12)16-9/h6-8H,2-5,13H2,1H3
InChIKeyOEGFEZMBSLNCEF-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.24
Rot. Bonds6

About ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate

ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate (PubChem CID 61104183) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
PubChem CID61104183
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Nameethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-2-15-11(14)5-3-4-8(13)9-6-7-10(12)16-9/h6-8H,2-5,13H2,1H3
InChIKeyOEGFEZMBSLNCEF-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860644
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
ethyl 3-(5-bromothiophen-2-yl)-3-(diethylamino)propanoate
CID 64540954
ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992
ethyl 5-(4-acetamidophenyl)-5-aminopentanoate
CID 82367101
ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl 5-amino-5-bromopentanoate
CID 88722728

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate?
The IUPAC name of ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate (CID 61104183) is ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate?
The canonical SMILES for ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate is CCOC(=O)CCCC(N)c1ccc(Br)s1.
What is the InChIKey of ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate?
The InChIKey is OEGFEZMBSLNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-2-15-11(14)5-3-4-8(13)9-6-7-10(12)16-9/h6-8H,2-5,13H2,1H3.
What are the key properties of ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate?
ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate has a molecular weight of 306.23 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate is sourced from PubChem (CID 61104183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).