cyclobutyl 2-amino-2-thiophen-2-ylacetate

C10H13NO2S — CID 115285077

IUPACcyclobutyl 2-amino-2-thiophen-2-ylacetate
SMILESNC(C(=O)OC1CCC1)c1cccs1
InChIInChI=1S/C10H13NO2S/c11-9(8-5-2-6-14-8)10(12)13-7-3-1-4-7/h2,5-7,9H,1,3-4,11H2
InChIKeyNAQFCXCCRCPTIC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.84
Rot. Bonds3

About cyclobutyl 2-amino-2-thiophen-2-ylacetate

cyclobutyl 2-amino-2-thiophen-2-ylacetate (PubChem CID 115285077) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is cyclobutyl 2-amino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namecyclobutyl 2-amino-2-thiophen-2-ylacetate
PubChem CID115285077
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namecyclobutyl 2-amino-2-thiophen-2-ylacetate
SMILESNC(C(=O)OC1CCC1)c1cccs1
InChIInChI=1S/C10H13NO2S/c11-9(8-5-2-6-14-8)10(12)13-7-3-1-4-7/h2,5-7,9H,1,3-4,11H2
InChIKeyNAQFCXCCRCPTIC-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyloxan-4-yl) 2-amino-2-thiophen-2-ylacetate
CID 113369221
(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
CID 114197190
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 115286756
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
1-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 116601649
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-amino-2-thiophen-2-ylacetate?
The IUPAC name of cyclobutyl 2-amino-2-thiophen-2-ylacetate (CID 115285077) is cyclobutyl 2-amino-2-thiophen-2-ylacetate.
What is the SMILES notation for cyclobutyl 2-amino-2-thiophen-2-ylacetate?
The canonical SMILES for cyclobutyl 2-amino-2-thiophen-2-ylacetate is NC(C(=O)OC1CCC1)c1cccs1.
What is the InChIKey of cyclobutyl 2-amino-2-thiophen-2-ylacetate?
The InChIKey is NAQFCXCCRCPTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c11-9(8-5-2-6-14-8)10(12)13-7-3-1-4-7/h2,5-7,9H,1,3-4,11H2.
What are the key properties of cyclobutyl 2-amino-2-thiophen-2-ylacetate?
cyclobutyl 2-amino-2-thiophen-2-ylacetate has a molecular weight of 211.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-amino-2-thiophen-2-ylacetate is sourced from PubChem (CID 115285077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).