methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate

C11H21NO3 — CID 62012874

IUPACmethyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCC1O
InChIInChI=1S/C11H21NO3/c1-12(8-4-7-11(14)15-2)9-5-3-6-10(9)13/h9-10,13H,3-8H2,1-2H3
InChIKeyLTZBFXLXRVSPRC-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds5

About methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate

methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate (PubChem CID 62012874) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate
PubChem CID62012874
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCC1O
InChIInChI=1S/C11H21NO3/c1-12(8-4-7-11(14)15-2)9-5-3-6-10(9)13/h9-10,13H,3-8H2,1-2H3
InChIKeyLTZBFXLXRVSPRC-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate (CID 62012874) is methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate is COC(=O)CCCN(C)C1CCCC1O.
What is the InChIKey of methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate?
The InChIKey is LTZBFXLXRVSPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(8-4-7-11(14)15-2)9-5-3-6-10(9)13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate?
methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxycyclopentyl)-methylamino]butanoate is sourced from PubChem (CID 62012874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).