methyl 2-(cyclohexylamino)acetate

C9H17NO2 — CID 11480703

IUPACmethyl 2-(cyclohexylamino)acetate
SMILESCOC(=O)CNC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyAGQPELVTVMBVBI-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-(cyclohexylamino)acetate

methyl 2-(cyclohexylamino)acetate (PubChem CID 11480703) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)acetate
PubChem CID11480703
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(cyclohexylamino)acetate
SMILESCOC(=O)CNC1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyAGQPELVTVMBVBI-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)acetate?
The IUPAC name of methyl 2-(cyclohexylamino)acetate (CID 11480703) is methyl 2-(cyclohexylamino)acetate.
What is the SMILES notation for methyl 2-(cyclohexylamino)acetate?
The canonical SMILES for methyl 2-(cyclohexylamino)acetate is COC(=O)CNC1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylamino)acetate?
The InChIKey is AGQPELVTVMBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 2-(cyclohexylamino)acetate?
methyl 2-(cyclohexylamino)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)acetate is sourced from PubChem (CID 11480703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).