(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate

C5H9NO3 — CID 91972251

IUPAC(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1[NH2+]CC[C@@H]1O
InChIInChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChIKeyBJBUEDPLEOHJGE-IUYQGCFVSA-N
MW131.13 g/mol
LogP-3.57
Rot. Bonds1

About (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate

(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate (PubChem CID 91972251) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate
PubChem CID91972251
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1[NH2+]CC[C@@H]1O
InChIInChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChIKeyBJBUEDPLEOHJGE-IUYQGCFVSA-N
XLogP-3.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The IUPAC name of (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate (CID 91972251) is (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate is O=C([O-])[C@@H]1[NH2+]CC[C@@H]1O.
What is the InChIKey of (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The InChIKey is BJBUEDPLEOHJGE-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate has a molecular weight of 131.13 g/mol, XLogP of -3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 91972251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).