propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride

C8H16ClNO2 — CID 91825814

IUPACpropan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCC(C)OC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(2)11-8(10)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyZTZSUYHZQHGYOD-OGFXRTJISA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds2

About propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride

propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 91825814) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride
PubChem CID91825814
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namepropan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCC(C)OC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(2)11-8(10)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyZTZSUYHZQHGYOD-OGFXRTJISA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl DL-prolinate
CID 94239
Methyl D-prolinate
CID 853476
tert-butyl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 44629909
L-Proline, ethyl ester
CID 79888
Ethyl pyrrolidine-2-carboxylate
CID 550673
methyl L-prolinate hydrochloride
CID 2733200
tert-Butyl L-prolinate hydrochloride
CID 6453107
L-Proline 1,1-dimethylethyl ester
CID 6453108
Methyl D-prolinate hydrochloride
CID 44629857
Methyl L-prolinate
CID 853477
H-D-Pro-otbu
CID 6931635
(2S,4S)-4-butan-2-yloxypyrrolidine-2-carboxylic acid
CID 54582775

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride (CID 91825814) is propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride is CC(C)OC(=O)[C@H]1CCCN1.Cl.
What is the InChIKey of propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is ZTZSUYHZQHGYOD-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6(2)11-8(10)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride?
propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 91825814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).