methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate

C10H15NO3S — CID 106435089

IUPACmethyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
SMILESCOC(=O)CCNCC(O)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-14-10(13)2-4-11-6-9(12)8-3-5-15-7-8/h3,5,7,9,11-12H,2,4,6H2,1H3
InChIKeyUTNCLAAFQVWWJC-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.93
Rot. Bonds6

About methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate

methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate (PubChem CID 106435089) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
PubChem CID106435089
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
SMILESCOC(=O)CCNCC(O)c1ccsc1
InChIInChI=1S/C10H15NO3S/c1-14-10(13)2-4-11-6-9(12)8-3-5-15-7-8/h3,5,7,9,11-12H,2,4,6H2,1H3
InChIKeyUTNCLAAFQVWWJC-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate (CID 106435089) is methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate is COC(=O)CCNCC(O)c1ccsc1.
What is the InChIKey of methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate?
The InChIKey is UTNCLAAFQVWWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-10(13)2-4-11-6-9(12)8-3-5-15-7-8/h3,5,7,9,11-12H,2,4,6H2,1H3.
What are the key properties of methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate?
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate has a molecular weight of 229.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate is sourced from PubChem (CID 106435089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).