methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate

C14H22N2O6 — CID 47081989

IUPACmethyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCC(C(=O)NCC(=O)OC)C1
InChIInChI=1S/C14H22N2O6/c1-21-11(17)7-15-13(19)9-4-3-5-10(6-9)14(20)16-8-12(18)22-2/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyNROUOVAUNUXHEB-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.63
Rot. Bonds6

About methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate

methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate (PubChem CID 47081989) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate
PubChem CID47081989
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Namemethyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCC(C(=O)NCC(=O)OC)C1
InChIInChI=1S/C14H22N2O6/c1-21-11(17)7-15-13(19)9-4-3-5-10(6-9)14(20)16-8-12(18)22-2/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyNROUOVAUNUXHEB-UHFFFAOYSA-N
XLogP-0.63
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate (CID 47081989) is methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCC(C(=O)NCC(=O)OC)C1.
What is the InChIKey of methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate?
The InChIKey is NROUOVAUNUXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-21-11(17)7-15-13(19)9-4-3-5-10(6-9)14(20)16-8-12(18)22-2/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate?
methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate has a molecular weight of 314.34 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate is sourced from PubChem (CID 47081989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).