ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

C10H19NO3 — CID 56933985

IUPACethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUBZYUSAPKPHLMV-BDAKNGLRSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds3

About ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate

ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (PubChem CID 56933985) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
PubChem CID56933985
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyUBZYUSAPKPHLMV-BDAKNGLRSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
CID 115758761

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate (CID 56933985) is ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC[C@H]1C[C@@H](C)O.
What is the InChIKey of ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
The InChIKey is UBZYUSAPKPHLMV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-10(13)11-6-4-5-9(11)7-8(2)12/h8-9,12H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate?
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 56933985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).