ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate

C12H17NO2S — CID 51077088

IUPACethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)9-13(10-5-6-10)8-11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyAHSMZFVCCMVYPF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds6

About ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate

ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate (PubChem CID 51077088) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
PubChem CID51077088
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)9-13(10-5-6-10)8-11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyAHSMZFVCCMVYPF-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate (CID 51077088) is ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is AHSMZFVCCMVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-12(14)9-13(10-5-6-10)8-11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 239.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 51077088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).