3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate

C7H13NO2 — CID 34180660

IUPAC3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate
SMILESO=C([O-])CC[C@H]1CCC[NH2+]1
InChIInChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)/t6-/m1/s1
InChIKeyHIDODKLFTVMWQL-ZCFIWIBFSA-N
MW143.19 g/mol
LogP-1.76
Rot. Bonds3

About 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate

3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate (PubChem CID 34180660) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate.

Molecular Properties

Compound Name3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate
PubChem CID34180660
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate
SMILESO=C([O-])CC[C@H]1CCC[NH2+]1
InChIInChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)/t6-/m1/s1
InChIKeyHIDODKLFTVMWQL-ZCFIWIBFSA-N
XLogP-1.76
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate?
The IUPAC name of 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate (CID 34180660) is 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate.
What is the SMILES notation for 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate?
The canonical SMILES for 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate is O=C([O-])CC[C@H]1CCC[NH2+]1.
What is the InChIKey of 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate?
The InChIKey is HIDODKLFTVMWQL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)/t6-/m1/s1.
What are the key properties of 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate?
3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate has a molecular weight of 143.19 g/mol, XLogP of -1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-pyrrolidin-1-ium-2-yl]propanoate is sourced from PubChem (CID 34180660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).