methyl 3-(4-aminocyclohexyl)propanoate

C10H19NO2 — CID 10867040

IUPACmethyl 3-(4-aminocyclohexyl)propanoate
SMILESCOC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h8-9H,2-7,11H2,1H3
InChIKeyQLOLKQHWOHYGQN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds3

About methyl 3-(4-aminocyclohexyl)propanoate

methyl 3-(4-aminocyclohexyl)propanoate (PubChem CID 10867040) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-(4-aminocyclohexyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminocyclohexyl)propanoate
PubChem CID10867040
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-(4-aminocyclohexyl)propanoate
SMILESCOC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h8-9H,2-7,11H2,1H3
InChIKeyQLOLKQHWOHYGQN-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 methyl 3-(4-aminocyclohexyl)propanoate?
The IUPAC name of methyl 3-(4-aminocyclohexyl)propanoate (CID 10867040) is methyl 3-(4-aminocyclohexyl)propanoate.
What is the SMILES notation for methyl 3-(4-aminocyclohexyl)propanoate?
The canonical SMILES for methyl 3-(4-aminocyclohexyl)propanoate is COC(=O)CCC1CCC(N)CC1.
What is the InChIKey of methyl 3-(4-aminocyclohexyl)propanoate?
The InChIKey is QLOLKQHWOHYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h8-9H,2-7,11H2,1H3.
What are the key properties of methyl 3-(4-aminocyclohexyl)propanoate?
methyl 3-(4-aminocyclohexyl)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminocyclohexyl)propanoate is sourced from PubChem (CID 10867040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).