4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid

C11H21NO3 — CID 62466874

IUPAC4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCC1CCCO
InChIInChI=1S/C11H21NO3/c13-9-3-5-10-4-1-7-12(10)8-2-6-11(14)15/h10,13H,1-9H2,(H,14,15)
InChIKeyMTOXQMKQIUVQLJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.09
Rot. Bonds7

About 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid (PubChem CID 62466874) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
PubChem CID62466874
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCC1CCCO
InChIInChI=1S/C11H21NO3/c13-9-3-5-10-4-1-7-12(10)8-2-6-11(14)15/h10,13H,1-9H2,(H,14,15)
InChIKeyMTOXQMKQIUVQLJ-UHFFFAOYSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111103101
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid (CID 62466874) is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid is O=C(O)CCCN1CCCC1CCCO.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid?
The InChIKey is MTOXQMKQIUVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-9-3-5-10-4-1-7-12(10)8-2-6-11(14)15/h10,13H,1-9H2,(H,14,15).
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid?
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 62466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).