Skip to content

Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate

C17H19FN2O3S — CID 36517458

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1cccs1
InChIInChI=1S/C17H19FN2O3S/c1-11(12-6-3-4-7-13(12)18)19-17(22)20-14(10-16(21)23-2)15-8-5-9-24-15/h3-9,11,14H,10H2,1-2H3,(H2,19,20,22)/t11-,14+/m1/s1
InChIKeyDCQFFVFOYYGJCY-RISCZKNCSA-N
MW350.42 g/mol
LogP3.55
Rot. Bonds6

About Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate

Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate (PubChem CID 36517458) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound NameMethyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate
PubChem CID36517458
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Namemethyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1cccs1
InChIInChI=1S/C17H19FN2O3S/c1-11(12-6-3-4-7-13(12)18)19-17(22)20-14(10-16(21)23-2)15-8-5-9-24-15/h3-9,11,14H,10H2,1-2H3,(H2,19,20,22)/t11-,14+/m1/s1
InChIKeyDCQFFVFOYYGJCY-RISCZKNCSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate (CID 36517458) is methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate is COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1cccs1.
What is the InChIKey of Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is DCQFFVFOYYGJCY-RISCZKNCSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11(12-6-3-4-7-13(12)18)19-17(22)20-14(10-16(21)23-2)15-8-5-9-24-15/h3-9,11,14H,10H2,1-2H3,(H2,19,20,22)/t11-,14+/m1/s1.
What are the key properties of Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate?
Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 350.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 36517458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.