ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate

C16H26N2O6 — CID 56981149

IUPACethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate
SMILESCCOC(=O)C(NC(C)=O)[C@@H]1CC(=O)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O6/c1-6-23-14(21)13(17-9(2)19)11-7-10(20)8-12(11)18-15(22)24-16(3,4)5/h11-13H,6-8H2,1-5H3,(H,17,19)(H,18,22)/t11-,12-,13?/m1/s1
InChIKeyLQZXGCNVOOWHFQ-ZNRZSNADSA-N
MW342.39 g/mol
LogP0.93
Rot. Bonds5

About ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate

ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate (PubChem CID 56981149) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate
PubChem CID56981149
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Nameethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate
SMILESCCOC(=O)C(NC(C)=O)[C@@H]1CC(=O)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O6/c1-6-23-14(21)13(17-9(2)19)11-7-10(20)8-12(11)18-15(22)24-16(3,4)5/h11-13H,6-8H2,1-5H3,(H,17,19)(H,18,22)/t11-,12-,13?/m1/s1
InChIKeyLQZXGCNVOOWHFQ-ZNRZSNADSA-N
XLogP0.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate with MolForge

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Related Compounds

ethyl (1S,2R,4R,5S)-4,5-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 102420535
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
ethyl (2S,3S)-3-cyclopropyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 139807127
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
2-acetamido-2-[(4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[tris(methylsulfanyl)methyl]cyclopentyl]acetic acid
CID 59897238
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate?
The IUPAC name of ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate (CID 56981149) is ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate.
What is the SMILES notation for ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate?
The canonical SMILES for ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate is CCOC(=O)C(NC(C)=O)[C@@H]1CC(=O)C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate?
The InChIKey is LQZXGCNVOOWHFQ-ZNRZSNADSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-6-23-14(21)13(17-9(2)19)11-7-10(20)8-12(11)18-15(22)24-16(3,4)5/h11-13H,6-8H2,1-5H3,(H,17,19)(H,18,22)/t11-,12-,13?/m1/s1.
What are the key properties of ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate?
ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate has a molecular weight of 342.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate is sourced from PubChem (CID 56981149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).