propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate

C12H17NO3S — CID 112723428

IUPACpropan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OC(C)C)c1cccs1
InChIInChI=1S/C12H17NO3S/c1-8(2)16-12(15)7-10(13-9(3)14)11-5-4-6-17-11/h4-6,8,10H,7H2,1-3H3,(H,13,14)
InChIKeyGCWQATIKRUNIPY-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.27
Rot. Bonds5

About propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate

propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate (PubChem CID 112723428) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
PubChem CID112723428
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Namepropan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OC(C)C)c1cccs1
InChIInChI=1S/C12H17NO3S/c1-8(2)16-12(15)7-10(13-9(3)14)11-5-4-6-17-11/h4-6,8,10H,7H2,1-3H3,(H,13,14)
InChIKeyGCWQATIKRUNIPY-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 93275939
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46601070
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate?
The IUPAC name of propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate (CID 112723428) is propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate.
What is the SMILES notation for propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate?
The canonical SMILES for propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate is CC(=O)NC(CC(=O)OC(C)C)c1cccs1.
What is the InChIKey of propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate?
The InChIKey is GCWQATIKRUNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(2)16-12(15)7-10(13-9(3)14)11-5-4-6-17-11/h4-6,8,10H,7H2,1-3H3,(H,13,14).
What are the key properties of propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate?
propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate has a molecular weight of 255.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 112723428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).