2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid

C12H20N2O3 — CID 104914841

IUPAC2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C12H20N2O3/c1-8(12(16)17)9-6-14(7-9)11(15)10-4-2-3-5-13-10/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,10-/m0/s1
InChIKeyFLSPJWNGJSOVEO-HTLJXXAVSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds3

About 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid

2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 104914841) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID104914841
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C12H20N2O3/c1-8(12(16)17)9-6-14(7-9)11(15)10-4-2-3-5-13-10/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,10-/m0/s1
InChIKeyFLSPJWNGJSOVEO-HTLJXXAVSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
CID 103870702
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494430
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid (CID 104914841) is 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is FLSPJWNGJSOVEO-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(12(16)17)9-6-14(7-9)11(15)10-4-2-3-5-13-10/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,10-/m0/s1.
What are the key properties of 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid?
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 104914841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).