[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C16H20N2O3S — CID 7435820

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3S/c1-10(15(19)17-11-5-3-4-6-11)21-16(20)13-9-14-12(18(13)2)7-8-22-14/h7-11H,3-6H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyMVSIIIKTRSSXAZ-SNVBAGLBSA-N
MW320.41 g/mol
LogP2.84
Rot. Bonds4

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 7435820) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID7435820
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3S/c1-10(15(19)17-11-5-3-4-6-11)21-16(20)13-9-14-12(18(13)2)7-8-22-14/h7-11H,3-6H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyMVSIIIKTRSSXAZ-SNVBAGLBSA-N
XLogP2.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7098199
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228511
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2635124
[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228571
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435838
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7284564
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887409
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887410
N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883468
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-bromo-1-methylindole-2-carboxylate
CID 94100173
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 7435820) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is C[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is MVSIIIKTRSSXAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(15(19)17-11-5-3-4-6-11)21-16(20)13-9-14-12(18(13)2)7-8-22-14/h7-11H,3-6H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 7435820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).