4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate

C10H20N2O5 — CID 19098789

IUPAC4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].O=C(O)C1CC(O)CN1
InChIInChI=1S/C5H9NO3.C5H11NO2/c7-3-1-4(5(8)9)6-2-3;1-6(2,3)4-5(7)8/h3-4,6-7H,1-2H2,(H,8,9);4H2,1-3H3
InChIKeySYGFTXNBIYXKTA-UHFFFAOYSA-N
MW248.28 g/mol
LogP-2.76
Rot. Bonds3

About 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate

4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate (PubChem CID 19098789) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Name4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
PubChem CID19098789
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].O=C(O)C1CC(O)CN1
InChIInChI=1S/C5H9NO3.C5H11NO2/c7-3-1-4(5(8)9)6-2-3;1-6(2,3)4-5(7)8/h3-4,6-7H,1-2H2,(H,8,9);4H2,1-3H3
InChIKeySYGFTXNBIYXKTA-UHFFFAOYSA-N
XLogP-2.76
TPSA109.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-2.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate?
The IUPAC name of 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate (CID 19098789) is 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate?
The canonical SMILES for 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate is C[N+](C)(C)CC(=O)[O-].O=C(O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate?
The InChIKey is SYGFTXNBIYXKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C5H11NO2/c7-3-1-4(5(8)9)6-2-3;1-6(2,3)4-5(7)8/h3-4,6-7H,1-2H2,(H,8,9);4H2,1-3H3.
What are the key properties of 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate?
4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate has a molecular weight of 248.28 g/mol, XLogP of -2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidine-2-carboxylic acid;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 19098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).