methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

C6H11NO3 — CID 7021050

IUPACmethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyZORHSASAYVIBLY-WHFBIAKZSA-N
MW145.16 g/mol
LogP-1.12
Rot. Bonds1

About methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 7021050) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID7021050
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyZORHSASAYVIBLY-WHFBIAKZSA-N
XLogP-1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
methyl (2S)-aziridine-2-carboxylate
CID 10329257
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,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (CID 7021050) is methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is ZORHSASAYVIBLY-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 7021050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).