4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid

C11H20N2O4 — CID 82323105

IUPAC4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c14-10(15)2-1-4-12-6-8-13(9-7-12)5-3-11(16)17/h1-9H2,(H,14,15)(H,16,17)
InChIKeyAXDIDYPBJCZMRV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.06
Rot. Bonds7

About 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid

4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid (PubChem CID 82323105) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
PubChem CID82323105
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c14-10(15)2-1-4-12-6-8-13(9-7-12)5-3-11(16)17/h1-9H2,(H,14,15)(H,16,17)
InChIKeyAXDIDYPBJCZMRV-UHFFFAOYSA-N
XLogP-0.06
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
3-(4-hexyl-1,4-diazepan-1-yl)propanoic acid
CID 82323042
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895
4-(1,3,5-dithiazinan-5-yl)butanoic acid
CID 101212176
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
6-piperazin-1-ylhexanoic acid
CID 54010280
4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 69324402

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid (CID 82323105) is 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid?
The InChIKey is AXDIDYPBJCZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-10(15)2-1-4-12-6-8-13(9-7-12)5-3-11(16)17/h1-9H2,(H,14,15)(H,16,17).
What are the key properties of 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid?
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 82323105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).