2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid

C13H23N3O4 — CID 91193939

IUPAC2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid
SMILESO=C(O)CC1CCN(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C13H23N3O4/c17-11(18)9-10-1-5-15(6-2-10)12(13(19)20)16-7-3-14-4-8-16/h10,12,14H,1-9H2,(H,17,18)(H,19,20)
InChIKeyIYGIVHSVUVKJIJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.51
Rot. Bonds5

About 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid

2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid (PubChem CID 91193939) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid
PubChem CID91193939
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid
SMILESO=C(O)CC1CCN(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C13H23N3O4/c17-11(18)9-10-1-5-15(6-2-10)12(13(19)20)16-7-3-14-4-8-16/h10,12,14H,1-9H2,(H,17,18)(H,19,20)
InChIKeyIYGIVHSVUVKJIJ-UHFFFAOYSA-N
XLogP-0.51
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid (CID 91193939) is 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid is O=C(O)CC1CCN(C(C(=O)O)N2CCNCC2)CC1.
What is the InChIKey of 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid?
The InChIKey is IYGIVHSVUVKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-11(18)9-10-1-5-15(6-2-10)12(13(19)20)16-7-3-14-4-8-16/h10,12,14H,1-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid?
2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid has a molecular weight of 285.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)piperidin-1-yl]-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 91193939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).