methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate

C13H22N2O4 — CID 101366968

IUPACmethyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCNC(CC2(O)CCCC2)C1=O
InChIInChI=1S/C13H22N2O4/c1-19-11(16)9-15-7-6-14-10(12(15)17)8-13(18)4-2-3-5-13/h10,14,18H,2-9H2,1H3
InChIKeyULRACRXBXKZZNU-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate

methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate (PubChem CID 101366968) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate
PubChem CID101366968
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCNC(CC2(O)CCCC2)C1=O
InChIInChI=1S/C13H22N2O4/c1-19-11(16)9-15-7-6-14-10(12(15)17)8-13(18)4-2-3-5-13/h10,14,18H,2-9H2,1H3
InChIKeyULRACRXBXKZZNU-UHFFFAOYSA-N
XLogP-0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate (CID 101366968) is methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate is COC(=O)CN1CCNC(CC2(O)CCCC2)C1=O.
What is the InChIKey of methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate?
The InChIKey is ULRACRXBXKZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-11(16)9-15-7-6-14-10(12(15)17)8-13(18)4-2-3-5-13/h10,14,18H,2-9H2,1H3.
What are the key properties of methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate?
methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate has a molecular weight of 270.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 101366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).