ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate

C15H20BrNO3S — CID 61410554

IUPACethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)CCCc1ccc(Br)s1)C1CC1
InChIInChI=1S/C15H20BrNO3S/c1-2-20-15(19)10-17(11-6-7-11)14(18)5-3-4-12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3
InChIKeyJXBVIWFSNJLKCL-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.39
Rot. Bonds8

About ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate

ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate (PubChem CID 61410554) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate
PubChem CID61410554
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC Nameethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)CCCc1ccc(Br)s1)C1CC1
InChIInChI=1S/C15H20BrNO3S/c1-2-20-15(19)10-17(11-6-7-11)14(18)5-3-4-12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3
InChIKeyJXBVIWFSNJLKCL-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
CID 79199605
ethane;ethyl 2-[2-(5-bromothiophen-2-yl)ethyl-ethoxycarbonylamino]acetate
CID 143786342
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
CID 86910139
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one;hydrochloride
CID 119437402
propan-2-yl 4-(5-bromothiophen-2-yl)butanoate
CID 112723023
tert-butyl 4-(5-bromothiophen-2-yl)butanoate
CID 79494944
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
4-(5-bromothiophen-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63762538
ethyl 2-[cyclopropyl(3-pyridin-3-ylpropanoyl)amino]acetate
CID 61410175
ethyl 2-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)butanoyl]amino]acetate
CID 70246074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate (CID 61410554) is ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)CCCc1ccc(Br)s1)C1CC1.
What is the InChIKey of ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate?
The InChIKey is JXBVIWFSNJLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c1-2-20-15(19)10-17(11-6-7-11)14(18)5-3-4-12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3.
What are the key properties of ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate?
ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate has a molecular weight of 374.30 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate is sourced from PubChem (CID 61410554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).