2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid

C12H22N2O2 — CID 121201886

IUPAC2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)16)13-8-4-11(5-9-13)14-6-2-3-7-14/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyMETIVJCGGWAYOS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds3

About 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid

2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid (PubChem CID 121201886) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
PubChem CID121201886
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)16)13-8-4-11(5-9-13)14-6-2-3-7-14/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyMETIVJCGGWAYOS-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
CID 83835259
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
CID 114820667
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid (CID 121201886) is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid?
The InChIKey is METIVJCGGWAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(12(15)16)13-8-4-11(5-9-13)14-6-2-3-7-14/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid?
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 121201886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).