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

C10H18N2O4 — CID 19080632

IUPAC2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)11-3-5-12(6-4-11)8(2)10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHOGOFNIBPVYYDP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.45
Rot. Bonds4

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

2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 19080632) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid
PubChem CID19080632
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7(9(13)14)11-3-5-12(6-4-11)8(2)10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHOGOFNIBPVYYDP-UHFFFAOYSA-N
XLogP-0.45
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid (CID 19080632) is 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is HOGOFNIBPVYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(9(13)14)11-3-5-12(6-4-11)8(2)10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid?
2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-carboxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 19080632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).