2-cyclohexylethyl 2-aminoacetate

C10H19NO2 — CID 54016535

IUPAC2-cyclohexylethyl 2-aminoacetate
SMILESNCC(=O)OCCC1CCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9H,1-8,11H2
InChIKeyQZHGBBADSBTTLG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds4

About 2-cyclohexylethyl 2-aminoacetate

2-cyclohexylethyl 2-aminoacetate (PubChem CID 54016535) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-cyclohexylethyl 2-aminoacetate.

Molecular Properties

Compound Name2-cyclohexylethyl 2-aminoacetate
PubChem CID54016535
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-cyclohexylethyl 2-aminoacetate
SMILESNCC(=O)OCCC1CCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9H,1-8,11H2
InChIKeyQZHGBBADSBTTLG-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 2-aminoacetate?
The IUPAC name of 2-cyclohexylethyl 2-aminoacetate (CID 54016535) is 2-cyclohexylethyl 2-aminoacetate.
What is the SMILES notation for 2-cyclohexylethyl 2-aminoacetate?
The canonical SMILES for 2-cyclohexylethyl 2-aminoacetate is NCC(=O)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl 2-aminoacetate?
The InChIKey is QZHGBBADSBTTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9H,1-8,11H2.
What are the key properties of 2-cyclohexylethyl 2-aminoacetate?
2-cyclohexylethyl 2-aminoacetate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 2-aminoacetate is sourced from PubChem (CID 54016535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).