2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 91075248

IUPAC2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCC1CCCCC1)N1CCC[C@H]1CO
InChIInChI=1S/C14H25NO3/c16-11-13-7-4-9-15(13)14(17)18-10-8-12-5-2-1-3-6-12/h12-13,16H,1-11H2/t13-/m0/s1
InChIKeyHDRUZMOJHGIUGZ-ZDUSSCGKSA-N
MW255.36 g/mol
LogP2.55
Rot. Bonds4

About 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 91075248) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID91075248
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCC1CCCCC1)N1CCC[C@H]1CO
InChIInChI=1S/C14H25NO3/c16-11-13-7-4-9-15(13)14(17)18-10-8-12-5-2-1-3-6-12/h12-13,16H,1-11H2/t13-/m0/s1
InChIKeyHDRUZMOJHGIUGZ-ZDUSSCGKSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 91075248) is 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is O=C(OCCC1CCCCC1)N1CCC[C@H]1CO.
What is the InChIKey of 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is HDRUZMOJHGIUGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO3/c16-11-13-7-4-9-15(13)14(17)18-10-8-12-5-2-1-3-6-12/h12-13,16H,1-11H2/t13-/m0/s1.
What are the key properties of 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 91075248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).