3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid

C12H22N2O3 — CID 82770774

IUPAC3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C12H22N2O3/c15-11(7-12(16)17)9-13-6-3-10(8-13)14-4-1-2-5-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyNTZKRLUKSDRBSL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds5

About 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid

3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 82770774) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
PubChem CID82770774
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C12H22N2O3/c15-11(7-12(16)17)9-13-6-3-10(8-13)14-4-1-2-5-14/h10-11,15H,1-9H2,(H,16,17)
InChIKeyNTZKRLUKSDRBSL-UHFFFAOYSA-N
XLogP-0.01
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
2-(cyclopropylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 55159716
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
methyl 2-bromo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 81100758
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)but-2-enoic acid
CID 76986901
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid (CID 82770774) is 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid is O=C(O)CC(O)CN1CCC(N2CCCC2)C1.
What is the InChIKey of 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is NTZKRLUKSDRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-11(7-12(16)17)9-13-6-3-10(8-13)14-4-1-2-5-14/h10-11,15H,1-9H2,(H,16,17).
What are the key properties of 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 242.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 82770774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).