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

C5H9NO3 — CID 7098651

IUPAC(2S,3R)-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+/m1/s1
InChIKeyBJBUEDPLEOHJGE-DMTCNVIQSA-N
MW131.13 g/mol
LogP-3.57
Rot. Bonds1

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

(2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate (PubChem CID 7098651) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate
PubChem CID7098651
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2S,3R)-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+/m1/s1
InChIKeyBJBUEDPLEOHJGE-DMTCNVIQSA-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 (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The IUPAC name of (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate (CID 7098651) is (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate.
What is the SMILES notation for (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The canonical SMILES for (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate is O=C([O-])[C@H]1[NH2+]CC[C@H]1O.
What is the InChIKey of (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
The InChIKey is BJBUEDPLEOHJGE-DMTCNVIQSA-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+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate?
(2S,3R)-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 (2S,3R)-3-hydroxypyrrolidin-1-ium-2-carboxylate is sourced from PubChem (CID 7098651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).