2-thiophen-2-ylethyl 3-amino-2-methylpropanoate

C10H15NO2S — CID 62669004

IUPAC2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OCCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-8(7-11)10(12)13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3
InChIKeyUVMWOYYMTDWHQB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.43
Rot. Bonds5

About 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate

2-thiophen-2-ylethyl 3-amino-2-methylpropanoate (PubChem CID 62669004) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
PubChem CID62669004
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OCCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-8(7-11)10(12)13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3
InChIKeyUVMWOYYMTDWHQB-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
CID 62479012
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
2-thiophen-2-ylethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66000795
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate?
The IUPAC name of 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate (CID 62669004) is 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate is CC(CN)C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate?
The InChIKey is UVMWOYYMTDWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(7-11)10(12)13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate?
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate has a molecular weight of 213.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 62669004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).