3-pyrrolidin-3-ylpropanoic acid

C7H13NO2 — CID 12825648

IUPAC3-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)CCC1CCNC1
InChIInChI=1S/C7H13NO2/c9-7(10)2-1-6-3-4-8-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyVQCUMONTEGWEIX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds3

About 3-pyrrolidin-3-ylpropanoic acid

3-pyrrolidin-3-ylpropanoic acid (PubChem CID 12825648) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrrolidin-3-ylpropanoic acid
PubChem CID12825648
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)CCC1CCNC1
InChIInChI=1S/C7H13NO2/c9-7(10)2-1-6-3-4-8-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyVQCUMONTEGWEIX-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 103859922

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of 3-pyrrolidin-3-ylpropanoic acid (CID 12825648) is 3-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for 3-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for 3-pyrrolidin-3-ylpropanoic acid is O=C(O)CCC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylpropanoic acid?
The InChIKey is VQCUMONTEGWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)2-1-6-3-4-8-5-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 3-pyrrolidin-3-ylpropanoic acid?
3-pyrrolidin-3-ylpropanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 12825648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).