ethyl (3R)-pyrrolidine-3-carboxylate

C7H13NO2 — CID 53488454

IUPACethyl (3R)-pyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-3-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyMPEUOPWWEODARH-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

About ethyl (3R)-pyrrolidine-3-carboxylate

ethyl (3R)-pyrrolidine-3-carboxylate (PubChem CID 53488454) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl (3R)-pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-pyrrolidine-3-carboxylate
PubChem CID53488454
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl (3R)-pyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-3-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyMPEUOPWWEODARH-ZCFIWIBFSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
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ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
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ethyl pyrrolidine-3-carboperoxoate
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ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
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diethyl (3S,5R)-piperidine-3,5-dicarboxylate
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(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
methyl pyrrolidine-3-carboxylate
CID 4114360
[2-(dibutylamino)-2-oxoethyl] pyrrolidine-3-carboxylate
CID 70080553
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate
CID 66769266

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-pyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-pyrrolidine-3-carboxylate (CID 53488454) is ethyl (3R)-pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-pyrrolidine-3-carboxylate is CCOC(=O)[C@@H]1CCNC1.
What is the InChIKey of ethyl (3R)-pyrrolidine-3-carboxylate?
The InChIKey is MPEUOPWWEODARH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)6-3-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (3R)-pyrrolidine-3-carboxylate?
ethyl (3R)-pyrrolidine-3-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-pyrrolidine-3-carboxylate is sourced from PubChem (CID 53488454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).