methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate

C14H25N3O4 — CID 104645052

IUPACmethyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(C)(O)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-14(20,13(19)21-2)10-17-7-3-4-11(17)12(18)16-8-5-15-6-9-16/h11,15,20H,3-10H2,1-2H3
InChIKeyDIZGIQIDSOXYIR-UHFFFAOYSA-N
MW299.37 g/mol
LogP-1.19
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate

methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate (PubChem CID 104645052) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate
PubChem CID104645052
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)C(C)(O)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-14(20,13(19)21-2)10-17-7-3-4-11(17)12(18)16-8-5-15-6-9-16/h11,15,20H,3-10H2,1-2H3
InChIKeyDIZGIQIDSOXYIR-UHFFFAOYSA-N
XLogP-1.19
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate (CID 104645052) is methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate is COC(=O)C(C)(O)CN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate?
The InChIKey is DIZGIQIDSOXYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(20,13(19)21-2)10-17-7-3-4-11(17)12(18)16-8-5-15-6-9-16/h11,15,20H,3-10H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate?
methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate has a molecular weight of 299.37 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 104645052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).