pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate

C9H16N2O3 — CID 57077496

IUPACpyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(ON1CCCC1)[C@@H]1CC(O)CN1
InChIInChI=1S/C9H16N2O3/c12-7-5-8(10-6-7)9(13)14-11-3-1-2-4-11/h7-8,10,12H,1-6H2/t7?,8-/m0/s1
InChIKeyVECACRJIJSIAJS-MQWKRIRWSA-N
MW200.24 g/mol
LogP-0.74
Rot. Bonds2

About pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate

pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 57077496) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID57077496
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(ON1CCCC1)[C@@H]1CC(O)CN1
InChIInChI=1S/C9H16N2O3/c12-7-5-8(10-6-7)9(13)14-11-3-1-2-4-11/h7-8,10,12H,1-6H2/t7?,8-/m0/s1
InChIKeyVECACRJIJSIAJS-MQWKRIRWSA-N
XLogP-0.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
pyrrolidin-1-yl cyclopropanecarboxylate
CID 154313391
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate
CID 140615237
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate (CID 57077496) is pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate is O=C(ON1CCCC1)[C@@H]1CC(O)CN1.
What is the InChIKey of pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is VECACRJIJSIAJS-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-7-5-8(10-6-7)9(13)14-11-3-1-2-4-11/h7-8,10,12H,1-6H2/t7?,8-/m0/s1.
What are the key properties of pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 57077496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).