methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C16H20N2O5S — CID 7388244

IUPACmethyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCC2
InChIInChI=1S/C16H20N2O5S/c1-22-16(21)12-10-5-2-6-11(10)24-15(12)18-14(20)13(19)17-8-9-4-3-7-23-9/h9H,2-8H2,1H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyOWIPKYOSSYVODA-SECBINFHSA-N
MW352.41 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 7388244) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID7388244
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Namemethyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCC2
InChIInChI=1S/C16H20N2O5S/c1-22-16(21)12-10-5-2-6-11(10)24-15(12)18-14(20)13(19)17-8-9-4-3-7-23-9/h9H,2-8H2,1H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyOWIPKYOSSYVODA-SECBINFHSA-N
XLogP1.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2986483
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18848619
2-[(3,4-dimethoxybenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6559363
methyl 2-[[2-[2-(cyclohexylmethylidene)hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4136873
methyl 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 27652891
methyl 2-[[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3328491
2-[(3-methylbenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1033254
2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2912562
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1083251
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1281596
ethyl (6R)-6-methyl-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8729529
2-[(4-fluorobenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40566589

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 7388244) is methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc2c1CCC2.
What is the InChIKey of methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is OWIPKYOSSYVODA-SECBINFHSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-22-16(21)12-10-5-2-6-11(10)24-15(12)18-14(20)13(19)17-8-9-4-3-7-23-9/h9H,2-8H2,1H3,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 7388244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).