methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate

C16H26N2O6 — CID 135255072

IUPACmethyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CC[C@@](C)(C(=O)NCC(=O)OC)C1(C)C
InChIInChI=1S/C16H26N2O6/c1-15(2)10(13(21)17-8-11(19)23-4)6-7-16(15,3)14(22)18-9-12(20)24-5/h10H,6-9H2,1-5H3,(H,17,21)(H,18,22)/t10-,16-/m0/s1
InChIKeyKQDQGJFOHSPMIU-QFYYESIMSA-N
MW342.39 g/mol
LogP0.01
Rot. Bonds6

About methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate

methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate (PubChem CID 135255072) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate
PubChem CID135255072
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Namemethyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CC[C@@](C)(C(=O)NCC(=O)OC)C1(C)C
InChIInChI=1S/C16H26N2O6/c1-15(2)10(13(21)17-8-11(19)23-4)6-7-16(15,3)14(22)18-9-12(20)24-5/h10H,6-9H2,1-5H3,(H,17,21)(H,18,22)/t10-,16-/m0/s1
InChIKeyKQDQGJFOHSPMIU-QFYYESIMSA-N
XLogP0.01
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate (CID 135255072) is methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CC[C@@](C)(C(=O)NCC(=O)OC)C1(C)C.
What is the InChIKey of methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate?
The InChIKey is KQDQGJFOHSPMIU-QFYYESIMSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-15(2)10(13(21)17-8-11(19)23-4)6-7-16(15,3)14(22)18-9-12(20)24-5/h10H,6-9H2,1-5H3,(H,17,21)(H,18,22)/t10-,16-/m0/s1.
What are the key properties of methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate?
methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate has a molecular weight of 342.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,3R)-3-[(2-methoxy-2-oxoethyl)carbamoyl]-2,2,3-trimethylcyclopentanecarbonyl]amino]acetate is sourced from PubChem (CID 135255072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).