methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

C9H15NO3 — CID 82856905

IUPACmethyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCOC(=O)C1(O)CCN2CCCC21
InChIInChI=1S/C9H15NO3/c1-13-8(11)9(12)4-6-10-5-2-3-7(9)10/h7,12H,2-6H2,1H3
InChIKeyRZKZWHIVVXCARI-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.24
Rot. Bonds1

About methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (PubChem CID 82856905) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
PubChem CID82856905
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCOC(=O)C1(O)CCN2CCCC21
InChIInChI=1S/C9H15NO3/c1-13-8(11)9(12)4-6-10-5-2-3-7(9)10/h7,12H,2-6H2,1H3
InChIKeyRZKZWHIVVXCARI-UHFFFAOYSA-N
XLogP-0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 3,5,6,7,8,8a-hexahydro-2H-indolizine-1,1-dicarboxylate
CID 102082195
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857076
methyl 1-(2-azidoethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856860
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
ethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82857077
1-(methylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853335
methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate
CID 177208928
ethyl 1-(cycloheptylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844697
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
methyl 1-hydroxy-2,4-dimethylcyclohexane-1-carboxylate
CID 64756046
ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)butanoate
CID 82855879
1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853255

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The IUPAC name of methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (CID 82856905) is methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The canonical SMILES for methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is COC(=O)C1(O)CCN2CCCC21.
What is the InChIKey of methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The InChIKey is RZKZWHIVVXCARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-8(11)9(12)4-6-10-5-2-3-7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 82856905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).