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

C6H12ClNO3 — CID 11435319

IUPACmethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyKLGSHNXEUZOKHH-JBUOLDKXSA-N
MW181.62 g/mol
LogP-0.70
Rot. Bonds1

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

methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 11435319) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID11435319
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyKLGSHNXEUZOKHH-JBUOLDKXSA-N
XLogP-0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (CID 11435319) is methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@@H](O)CN1.Cl.
What is the InChIKey of methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is KLGSHNXEUZOKHH-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 11435319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).