methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate

C11H19NO3 — CID 166562434

IUPACmethyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN([C@@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-5-6-12(7-8)9-3-2-4-10(9)13/h8-10,13H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyIVCSPBKEXMJWOE-XVBQNVSMSA-N
MW213.28 g/mol
LogP0.39
Rot. Bonds2

About methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate

methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate (PubChem CID 166562434) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate
PubChem CID166562434
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN([C@@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-5-6-12(7-8)9-3-2-4-10(9)13/h8-10,13H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyIVCSPBKEXMJWOE-XVBQNVSMSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate (CID 166562434) is methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN([C@@H]2CCC[C@@H]2O)C1.
What is the InChIKey of methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate?
The InChIKey is IVCSPBKEXMJWOE-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)8-5-6-12(7-8)9-3-2-4-10(9)13/h8-10,13H,2-7H2,1H3/t8?,9-,10+/m1/s1.
What are the key properties of methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate?
methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1R,2S)-2-hydroxycyclopentyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 166562434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).