ethyl 3-(thiophen-2-ylmethylamino)propanoate

C10H15NO2S — CID 14896429

IUPACethyl 3-(thiophen-2-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-2-13-10(12)5-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyRVUKMQHTMQHBPR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.79
Rot. Bonds6

About ethyl 3-(thiophen-2-ylmethylamino)propanoate

ethyl 3-(thiophen-2-ylmethylamino)propanoate (PubChem CID 14896429) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 3-(thiophen-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(thiophen-2-ylmethylamino)propanoate
PubChem CID14896429
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 3-(thiophen-2-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-2-13-10(12)5-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyRVUKMQHTMQHBPR-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(thiophen-2-ylmethylamino)propanoate?
The IUPAC name of ethyl 3-(thiophen-2-ylmethylamino)propanoate (CID 14896429) is ethyl 3-(thiophen-2-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(thiophen-2-ylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(thiophen-2-ylmethylamino)propanoate is CCOC(=O)CCNCc1cccs1.
What is the InChIKey of ethyl 3-(thiophen-2-ylmethylamino)propanoate?
The InChIKey is RVUKMQHTMQHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-13-10(12)5-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3.
What are the key properties of ethyl 3-(thiophen-2-ylmethylamino)propanoate?
ethyl 3-(thiophen-2-ylmethylamino)propanoate has a molecular weight of 213.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(thiophen-2-ylmethylamino)propanoate is sourced from PubChem (CID 14896429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).