ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride

C7H14ClNO2 — CID 11679912

IUPACethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyDUJGQVVONTYHLT-RGMNGODLSA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds2

About ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride

ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 11679912) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
PubChem CID11679912
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyDUJGQVVONTYHLT-RGMNGODLSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride (CID 11679912) is ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride is CCOC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is DUJGQVVONTYHLT-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 11679912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).