methyl 2-(1-aminocyclohexyl)acetate

C9H17NO2 — CID 10749699

IUPACmethyl 2-(1-aminocyclohexyl)acetate
SMILESCOC(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKeyRLMHBOGYHKMLFN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds2

About methyl 2-(1-aminocyclohexyl)acetate

methyl 2-(1-aminocyclohexyl)acetate (PubChem CID 10749699) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(1-aminocyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-aminocyclohexyl)acetate
PubChem CID10749699
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(1-aminocyclohexyl)acetate
SMILESCOC(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKeyRLMHBOGYHKMLFN-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminocyclohexyl)acetate?
The IUPAC name of methyl 2-(1-aminocyclohexyl)acetate (CID 10749699) is methyl 2-(1-aminocyclohexyl)acetate.
What is the SMILES notation for methyl 2-(1-aminocyclohexyl)acetate?
The canonical SMILES for methyl 2-(1-aminocyclohexyl)acetate is COC(=O)CC1(N)CCCCC1.
What is the InChIKey of methyl 2-(1-aminocyclohexyl)acetate?
The InChIKey is RLMHBOGYHKMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3.
What are the key properties of methyl 2-(1-aminocyclohexyl)acetate?
methyl 2-(1-aminocyclohexyl)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminocyclohexyl)acetate is sourced from PubChem (CID 10749699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).