(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate

C11H20N2O4 — CID 107437046

IUPAC(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCOC1CCCC(OC(=O)CNCC(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-16-8-3-2-4-9(5-8)17-11(15)7-13-6-10(12)14/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyXBJFIJAMTSWKFS-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.44
Rot. Bonds6

About (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate

(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate (PubChem CID 107437046) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
PubChem CID107437046
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCOC1CCCC(OC(=O)CNCC(N)=O)C1
InChIInChI=1S/C11H20N2O4/c1-16-8-3-2-4-9(5-8)17-11(15)7-13-6-10(12)14/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyXBJFIJAMTSWKFS-UHFFFAOYSA-N
XLogP-0.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437004
(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 71899358
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
CID 81161404
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
(3-methoxycyclohexyl) 4-ethoxybutanoate
CID 78885793
(3-methoxycyclohexyl) 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 107018802
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
CID 98041349
2-[(1R,3S)-3-methoxycyclopentyl]acetamide
CID 66658850
(3-methoxycyclohexyl) 2-acetamido-3-sulfanylpropanoate
CID 107770067
cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79257875
(3-methoxycyclohexyl) 2-aminocyclohexane-1-carboxylate
CID 64818037
(3-methoxycyclohexyl) 4-anilinobutanoate
CID 60782216

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate (CID 107437046) is (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate is COC1CCCC(OC(=O)CNCC(N)=O)C1.
What is the InChIKey of (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is XBJFIJAMTSWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-8-3-2-4-9(5-8)17-11(15)7-13-6-10(12)14/h8-9,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate?
(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 107437046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).