4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid

C10H17N3O3 — CID 141382858

IUPAC4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)CN2CCC2)CC1
InChIInChI=1S/C10H17N3O3/c14-9(8-11-2-1-3-11)12-4-6-13(7-5-12)10(15)16/h1-8H2,(H,15,16)
InChIKeyLJPKUQNKIYPGFZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.49
Rot. Bonds2

About 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid

4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid (PubChem CID 141382858) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
PubChem CID141382858
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)CN2CCC2)CC1
InChIInChI=1S/C10H17N3O3/c14-9(8-11-2-1-3-11)12-4-6-13(7-5-12)10(15)16/h1-8H2,(H,15,16)
InChIKeyLJPKUQNKIYPGFZ-UHFFFAOYSA-N
XLogP-0.49
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 127000154
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid (CID 141382858) is 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)CN2CCC2)CC1.
What is the InChIKey of 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid?
The InChIKey is LJPKUQNKIYPGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(8-11-2-1-3-11)12-4-6-13(7-5-12)10(15)16/h1-8H2,(H,15,16).
What are the key properties of 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid?
4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 141382858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).