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

C12H22N2O2 — CID 63170702

IUPAC3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(8-12(15)16)14-7-4-11(9-14)13-5-2-3-6-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyLGFCQPZQQBHONI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds4

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

3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 63170702) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
PubChem CID63170702
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(8-12(15)16)14-7-4-11(9-14)13-5-2-3-6-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyLGFCQPZQQBHONI-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 63150586
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)pentanoic acid
CID 63151670
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanethioamide
CID 79932274

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid (CID 63170702) is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is LGFCQPZQQBHONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(8-12(15)16)14-7-4-11(9-14)13-5-2-3-6-13/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid?
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 63170702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).