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

C6H12ClNO3 — CID 12764090

IUPACmethyl (2R,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-TYSVMGFPSA-N
MW181.62 g/mol
LogP-0.70
Rot. Bonds1

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

methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 12764090) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID12764090
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl (2R,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-TYSVMGFPSA-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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Related Compounds

methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2S)-aziridine-2-carboxylate
CID 10329257
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate;hydrochloride
CID 14036226

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (CID 12764090) is methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@H]1C[C@@H](O)CN1.Cl.
What is the InChIKey of methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is KLGSHNXEUZOKHH-TYSVMGFPSA-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 (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2R,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 (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 12764090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).