prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate

C11H13NO3S — CID 97003904

IUPACprop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h3-5,7-8H,1,6H2,2H3,(H,12,13)/t8-/m0/s1
InChIKeyIYLOHWLJPCEBMW-QMMMGPOBSA-N
MW239.30 g/mol
LogP1.60
Rot. Bonds5

About prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate

prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 97003904) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID97003904
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nameprop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
SMILESC=CCOC(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h3-5,7-8H,1,6H2,2H3,(H,12,13)/t8-/m0/s1
InChIKeyIYLOHWLJPCEBMW-QMMMGPOBSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.60
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

methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl 2-benzamidopropanoate
CID 2910482
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
CID 55484589
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
CID 55484686
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate (CID 97003904) is prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate is C=CCOC(=O)[C@H](C)NC(=O)c1cccs1.
What is the InChIKey of prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is IYLOHWLJPCEBMW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-3-6-15-11(14)8(2)12-10(13)9-5-4-7-16-9/h3-5,7-8H,1,6H2,2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 239.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 97003904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).