ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C11H17NO4 — CID 170367901

IUPACethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCC(=O)N1C[C@H](OC)C2
InChIInChI=1S/C11H17NO4/c1-3-16-10(14)11-5-4-9(13)12(11)7-8(6-11)15-2/h8H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPJXRWNSBFCTOSD-LDYMZIIASA-N
MW227.26 g/mol
LogP0.33
Rot. Bonds3

About ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 170367901) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID170367901
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)[C@]12CCC(=O)N1C[C@H](OC)C2
InChIInChI=1S/C11H17NO4/c1-3-16-10(14)11-5-4-9(13)12(11)7-8(6-11)15-2/h8H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPJXRWNSBFCTOSD-LDYMZIIASA-N
XLogP0.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate with MolForge

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Related Compounds

ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
ethyl 2-hydroxy-5-methylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 118132079
5-oxo-2-(trifluoromethoxy)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 170305343
ethyl 3-methylidene-6-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132078
ethyl 3,6-dimethylidene-1,2,5,7-tetrahydropyrrolizine-8-carboxylate
CID 118132077
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 5-(1-oxopropan-2-ylidene)-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 174214019
1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
CID 118183207
ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
diethyl 2-(1-hydroxy-3-methoxycyclohexyl)propanedioate
CID 106874291

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 170367901) is ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is CCOC(=O)[C@]12CCC(=O)N1C[C@H](OC)C2.
What is the InChIKey of ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is PJXRWNSBFCTOSD-LDYMZIIASA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-16-10(14)11-5-4-9(13)12(11)7-8(6-11)15-2/h8H,3-7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 170367901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).