2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride

C8H16Cl2N2O4 — CID 43810766

IUPAC2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O4.2ClH/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14;;/h1-6H2,(H,11,12)(H,13,14);2*1H
InChIKeyHSLDDYBTCSHWED-UHFFFAOYSA-N
MW275.13 g/mol
LogP-0.38
Rot. Bonds4

About 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride

2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride (PubChem CID 43810766) has the molecular formula C8H16Cl2N2O4 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride
PubChem CID43810766
Molecular FormulaC8H16Cl2N2O4
Molecular Weight275.13 g/mol
Exact Mass274.05
IUPAC Name2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O4.2ClH/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14;;/h1-6H2,(H,11,12)(H,13,14);2*1H
InChIKeyHSLDDYBTCSHWED-UHFFFAOYSA-N
XLogP-0.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The IUPAC name of 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride (CID 43810766) is 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride is Cl.Cl.O=C(O)CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The InChIKey is HSLDDYBTCSHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.2ClH/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14;;/h1-6H2,(H,11,12)(H,13,14);2*1H.
What are the key properties of 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride?
2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride has a molecular weight of 275.13 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid;dihydrochloride is sourced from PubChem (CID 43810766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).