methyl 2-[(2-cyclohexylacetyl)amino]acetate

C11H19NO3 — CID 43404765

IUPACmethyl 2-[(2-cyclohexylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyJKFYPRTXBDYKJG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[(2-cyclohexylacetyl)amino]acetate

methyl 2-[(2-cyclohexylacetyl)amino]acetate (PubChem CID 43404765) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[(2-cyclohexylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclohexylacetyl)amino]acetate
PubChem CID43404765
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[(2-cyclohexylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyJKFYPRTXBDYKJG-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cyclobutyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
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2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
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2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
methyl (E)-4-[(2-cyclohexylacetyl)amino]but-2-enoate
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CID 119645034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclohexylacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyclohexylacetyl)amino]acetate (CID 43404765) is methyl 2-[(2-cyclohexylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclohexylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyclohexylacetyl)amino]acetate is COC(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of methyl 2-[(2-cyclohexylacetyl)amino]acetate?
The InChIKey is JKFYPRTXBDYKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(2-cyclohexylacetyl)amino]acetate?
methyl 2-[(2-cyclohexylacetyl)amino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclohexylacetyl)amino]acetate is sourced from PubChem (CID 43404765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).