ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate

C8H14N2O5 — CID 140615237

IUPACethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate
SMILESCCNC(=O)OOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N2O5/c1-2-9-8(13)15-14-7(12)6-3-5(11)4-10-6/h5-6,10-11H,2-4H2,1H3,(H,9,13)/t5-,6-/m0/s1
InChIKeyDCRHCWZQUJBEAR-WDSKDSINSA-N
MW218.21 g/mol
LogP-1.09
Rot. Bonds2

About ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate

ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate (PubChem CID 140615237) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate.

Molecular Properties

Compound Nameethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate
PubChem CID140615237
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Nameethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate
SMILESCCNC(=O)OOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N2O5/c1-2-9-8(13)15-14-7(12)6-3-5(11)4-10-6/h5-6,10-11H,2-4H2,1H3,(H,9,13)/t5-,6-/m0/s1
InChIKeyDCRHCWZQUJBEAR-WDSKDSINSA-N
XLogP-1.09
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
ethylcarbamoyl (2S)-pyrrolidine-2-carboperoxoate
CID 140558917
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324

Frequently Asked Questions

What is the IUPAC name of ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate?
The IUPAC name of ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate (CID 140615237) is ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate.
What is the SMILES notation for ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate?
The canonical SMILES for ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate is CCNC(=O)OOC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate?
The InChIKey is DCRHCWZQUJBEAR-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-2-9-8(13)15-14-7(12)6-3-5(11)4-10-6/h5-6,10-11H,2-4H2,1H3,(H,9,13)/t5-,6-/m0/s1.
What are the key properties of ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate?
ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate has a molecular weight of 218.21 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate is sourced from PubChem (CID 140615237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).