prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate

C10H13NO2S — CID 118184249

IUPACprop-2-enyl 3-amino-3-thiophen-3-ylpropanoate
SMILESC=CCOC(=O)CC(N)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-2-4-13-10(12)6-9(11)8-3-5-14-7-8/h2-3,5,7,9H,1,4,6,11H2
InChIKeyGWYMMUJRDLIIJM-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.87
Rot. Bonds5

About prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate

prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate (PubChem CID 118184249) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-amino-3-thiophen-3-ylpropanoate
PubChem CID118184249
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameprop-2-enyl 3-amino-3-thiophen-3-ylpropanoate
SMILESC=CCOC(=O)CC(N)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-2-4-13-10(12)6-9(11)8-3-5-14-7-8/h2-3,5,7,9H,1,4,6,11H2
InChIKeyGWYMMUJRDLIIJM-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101
prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate
CID 46186602
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
prop-2-enyl (2R)-2-(phenylmethoxycarbonylamino)-2-thiophen-3-ylacetate
CID 101202267
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
bis(prop-2-enyl) 2-aminobutanedioate
CID 3883747
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate?
The IUPAC name of prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate (CID 118184249) is prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate.
What is the SMILES notation for prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate?
The canonical SMILES for prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate is C=CCOC(=O)CC(N)c1ccsc1.
What is the InChIKey of prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate?
The InChIKey is GWYMMUJRDLIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-4-13-10(12)6-9(11)8-3-5-14-7-8/h2-3,5,7,9H,1,4,6,11H2.
What are the key properties of prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate?
prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate has a molecular weight of 211.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 118184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).