methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate

C14H27NO3 — CID 65118877

IUPACmethyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
SMILESCCC1CCC(O)(CNC(C)CC(=O)OC)CC1
InChIInChI=1S/C14H27NO3/c1-4-12-5-7-14(17,8-6-12)10-15-11(2)9-13(16)18-3/h11-12,15,17H,4-10H2,1-3H3
InChIKeyHLSCQVBXAUJRPI-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds6

About methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate

methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate (PubChem CID 65118877) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
PubChem CID65118877
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
SMILESCCC1CCC(O)(CNC(C)CC(=O)OC)CC1
InChIInChI=1S/C14H27NO3/c1-4-12-5-7-14(17,8-6-12)10-15-11(2)9-13(16)18-3/h11-12,15,17H,4-10H2,1-3H3
InChIKeyHLSCQVBXAUJRPI-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate?
The IUPAC name of methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate (CID 65118877) is methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate.
What is the SMILES notation for methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate?
The canonical SMILES for methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate is CCC1CCC(O)(CNC(C)CC(=O)OC)CC1.
What is the InChIKey of methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate?
The InChIKey is HLSCQVBXAUJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-12-5-7-14(17,8-6-12)10-15-11(2)9-13(16)18-3/h11-12,15,17H,4-10H2,1-3H3.
What are the key properties of methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate?
methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate has a molecular weight of 257.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate is sourced from PubChem (CID 65118877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).