ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride

C8H16ClNO3 — CID 11469867

IUPACethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)C[C@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(11)4-6-3-7(10)5-9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7-;/m1./s1
InChIKeyCWZCENZSCUSKAQ-ZJLYAJKPSA-N
MW209.67 g/mol
LogP0.08
Rot. Bonds3

About ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride

ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride (PubChem CID 11469867) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride
PubChem CID11469867
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Nameethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)C[C@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(11)4-6-3-7(10)5-9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7-;/m1./s1
InChIKeyCWZCENZSCUSKAQ-ZJLYAJKPSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride (CID 11469867) is ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride is CCOC(=O)C[C@H]1C[C@@H](O)CN1.Cl.
What is the InChIKey of ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride?
The InChIKey is CWZCENZSCUSKAQ-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-12-8(11)4-6-3-7(10)5-9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7-;/m1./s1.
What are the key properties of ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride?
ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R)-4-hydroxypyrrolidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 11469867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).