4-(3-carboxypropyl)piperazine-2-carboxylic acid

C9H16N2O4 — CID 14751353

IUPAC4-(3-carboxypropyl)piperazine-2-carboxylic acid
SMILESO=C(O)CCCN1CCNC(C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c12-8(13)2-1-4-11-5-3-10-7(6-11)9(14)15/h7,10H,1-6H2,(H,12,13)(H,14,15)
InChIKeySUBPBOVIYZLZKW-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.79
Rot. Bonds5

About 4-(3-carboxypropyl)piperazine-2-carboxylic acid

4-(3-carboxypropyl)piperazine-2-carboxylic acid (PubChem CID 14751353) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(3-carboxypropyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxypropyl)piperazine-2-carboxylic acid
PubChem CID14751353
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-(3-carboxypropyl)piperazine-2-carboxylic acid
SMILESO=C(O)CCCN1CCNC(C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c12-8(13)2-1-4-11-5-3-10-7(6-11)9(14)15/h7,10H,1-6H2,(H,12,13)(H,14,15)
InChIKeySUBPBOVIYZLZKW-UHFFFAOYSA-N
XLogP-0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxypropyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(3-carboxypropyl)piperazine-2-carboxylic acid (CID 14751353) is 4-(3-carboxypropyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(3-carboxypropyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(3-carboxypropyl)piperazine-2-carboxylic acid is O=C(O)CCCN1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(3-carboxypropyl)piperazine-2-carboxylic acid?
The InChIKey is SUBPBOVIYZLZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-8(13)2-1-4-11-5-3-10-7(6-11)9(14)15/h7,10H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(3-carboxypropyl)piperazine-2-carboxylic acid?
4-(3-carboxypropyl)piperazine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxypropyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 14751353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).