methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate

C14H25NO4 — CID 59096117

IUPACmethyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)COC(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-10(2)19-9-12(16)15-13(14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyIZYZBXJPXXOSRT-CYBMUJFWSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds6

About methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate

methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate (PubChem CID 59096117) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate
PubChem CID59096117
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)COC(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-10(2)19-9-12(16)15-13(14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyIZYZBXJPXXOSRT-CYBMUJFWSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate?
The IUPAC name of methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate (CID 59096117) is methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate is COC(=O)[C@H](NC(=O)COC(C)C)C1CCCCC1.
What is the InChIKey of methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate?
The InChIKey is IZYZBXJPXXOSRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)19-9-12(16)15-13(14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate?
methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]acetate is sourced from PubChem (CID 59096117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).