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

C9H16N2O2 — CID 105441160

IUPACmethyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12CCCN1CCC2N
InChIInChI=1S/C9H16N2O2/c1-13-8(12)9-4-2-5-11(9)6-3-7(9)10/h7H,2-6,10H2,1H3
InChIKeyXWLVKPLQIVPXLC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.28
Rot. Bonds1

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

methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 105441160) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID105441160
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemethyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCOC(=O)C12CCCN1CCC2N
InChIInChI=1S/C9H16N2O2/c1-13-8(12)9-4-2-5-11(9)6-3-7(9)10/h7H,2-6,10H2,1H3
InChIKeyXWLVKPLQIVPXLC-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
CID 169228077
methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
CID 54546442
ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
CID 144936847
2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 64756445
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
1-O-tert-butyl 3-O-methyl (3R,4R)-4-amino-3-hydroxypiperidine-1,3-dicarboxylate
CID 86607892
methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856905
dimethyl 3,5,6,7,8,8a-hexahydro-2H-indolizine-1,1-dicarboxylate
CID 102082195
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 105441160) is methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is COC(=O)C12CCCN1CCC2N.
What is the InChIKey of methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is XWLVKPLQIVPXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-8(12)9-4-2-5-11(9)6-3-7(9)10/h7H,2-6,10H2,1H3.
What are the key properties of methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 184.24 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 105441160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).