1-(azetidin-3-yl)piperidine-4-carboxylic acid

C9H16N2O2 — CID 146155819

IUPAC1-(azetidin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CNC2)CC1
InChIInChI=1S/C9H16N2O2/c12-9(13)7-1-3-11(4-2-7)8-5-10-6-8/h7-8,10H,1-6H2,(H,12,13)
InChIKeyWCRRIIGHCBVLDO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds2

About 1-(azetidin-3-yl)piperidine-4-carboxylic acid

1-(azetidin-3-yl)piperidine-4-carboxylic acid (PubChem CID 146155819) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(azetidin-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)piperidine-4-carboxylic acid
PubChem CID146155819
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(azetidin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CNC2)CC1
InChIInChI=1S/C9H16N2O2/c12-9(13)7-1-3-11(4-2-7)8-5-10-6-8/h7-8,10H,1-6H2,(H,12,13)
InChIKeyWCRRIIGHCBVLDO-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(azetidin-3-yl)piperidine-4-carbonyl]azanide;ethane;tungsten
CID 154680933
1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
CID 125457412
1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide
CID 173126239
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 129416087
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
CID 75464903
1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 80699258
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
CID 79152124

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(azetidin-3-yl)piperidine-4-carboxylic acid (CID 146155819) is 1-(azetidin-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(azetidin-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(azetidin-3-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)piperidine-4-carboxylic acid?
The InChIKey is WCRRIIGHCBVLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)7-1-3-11(4-2-7)8-5-10-6-8/h7-8,10H,1-6H2,(H,12,13).
What are the key properties of 1-(azetidin-3-yl)piperidine-4-carboxylic acid?
1-(azetidin-3-yl)piperidine-4-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 146155819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).