methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate

C9H15NO3 — CID 130875347

IUPACmethyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCOC(=O)[C@@H]1CCN2CC[C@@H](O)C12
InChIInChI=1S/C9H15NO3/c1-13-9(12)6-2-4-10-5-3-7(11)8(6)10/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyRXRCQXLXRSNQCP-GCJDJSOWSA-N
MW185.22 g/mol
LogP-0.39
Rot. Bonds1

About methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate

methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (PubChem CID 130875347) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
PubChem CID130875347
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
SMILESCOC(=O)[C@@H]1CCN2CC[C@@H](O)C12
InChIInChI=1S/C9H15NO3/c1-13-9(12)6-2-4-10-5-3-7(11)8(6)10/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m1/s1
InChIKeyRXRCQXLXRSNQCP-GCJDJSOWSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate with MolForge

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Related Compounds

methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate
CID 83986224
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CID 21150450
dimethyl 3-hydroxypiperidine-1,4-dicarboxylate
CID 122573790
methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 129493931
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
CID 175719062
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
methyl 2-hydroxy-4-methylcyclohexane-1-carboxylate
CID 77262266
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249

Frequently Asked Questions

What is the IUPAC name of methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (CID 130875347) is methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is COC(=O)[C@@H]1CCN2CC[C@@H](O)C12.
What is the InChIKey of methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is RXRCQXLXRSNQCP-GCJDJSOWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9(12)6-2-4-10-5-3-7(11)8(6)10/h6-8,11H,2-5H2,1H3/t6-,7-,8?/m1/s1.
What are the key properties of methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 130875347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).