1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H25N3O3 — CID 64612230

IUPAC1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(8-11-9-16-10-11)17-6-3-12(4-7-17)18-5-1-2-13(18)15(20)21/h11-13,16H,1-10H2,(H,20,21)
InChIKeyOMWCCBCCXHCGFW-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.14
Rot. Bonds4

About 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 64612230) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID64612230
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(8-11-9-16-10-11)17-6-3-12(4-7-17)18-5-1-2-13(18)15(20)21/h11-13,16H,1-10H2,(H,20,21)
InChIKeyOMWCCBCCXHCGFW-UHFFFAOYSA-N
XLogP0.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019409
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 64612230) is 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is OMWCCBCCXHCGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(8-11-9-16-10-11)17-6-3-12(4-7-17)18-5-1-2-13(18)15(20)21/h11-13,16H,1-10H2,(H,20,21).
What are the key properties of 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64612230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).