(2-aminocyclohexyl) propanoate

C9H17NO2 — CID 57232417

IUPAC(2-aminocyclohexyl) propanoate
SMILESCCC(=O)OC1CCCCC1N
InChIInChI=1S/C9H17NO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3
InChIKeyPRRUXMLCWIHYGQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds2

About (2-aminocyclohexyl) propanoate

(2-aminocyclohexyl) propanoate (PubChem CID 57232417) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-aminocyclohexyl) propanoate.

Molecular Properties

Compound Name(2-aminocyclohexyl) propanoate
PubChem CID57232417
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-aminocyclohexyl) propanoate
SMILESCCC(=O)OC1CCCCC1N
InChIInChI=1S/C9H17NO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3
InChIKeyPRRUXMLCWIHYGQ-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 (2-aminocyclohexyl) propanoate?
The IUPAC name of (2-aminocyclohexyl) propanoate (CID 57232417) is (2-aminocyclohexyl) propanoate.
What is the SMILES notation for (2-aminocyclohexyl) propanoate?
The canonical SMILES for (2-aminocyclohexyl) propanoate is CCC(=O)OC1CCCCC1N.
What is the InChIKey of (2-aminocyclohexyl) propanoate?
The InChIKey is PRRUXMLCWIHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-aminocyclohexyl) propanoate?
(2-aminocyclohexyl) propanoate 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 (2-aminocyclohexyl) propanoate is sourced from PubChem (CID 57232417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).