ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

C7H14ClNO3 — CID 12709304

IUPACethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyHHXSZDXMSRXWJV-IBTYICNHSA-N
MW195.65 g/mol
LogP-0.31
Rot. Bonds2

About ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 12709304) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID12709304
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Nameethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyHHXSZDXMSRXWJV-IBTYICNHSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (CID 12709304) is ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is CCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl.
What is the InChIKey of ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is HHXSZDXMSRXWJV-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 12709304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).