4-(carboxymethyl)piperazine-2-carboxylic acid

C7H12N2O4 — CID 13491863

IUPAC4-(carboxymethyl)piperazine-2-carboxylic acid
SMILESO=C(O)CN1CCNC(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c10-6(11)4-9-2-1-8-5(3-9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyMJNNLNHBBKKFFN-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.57
Rot. Bonds3

About 4-(carboxymethyl)piperazine-2-carboxylic acid

4-(carboxymethyl)piperazine-2-carboxylic acid (PubChem CID 13491863) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(carboxymethyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)piperazine-2-carboxylic acid
PubChem CID13491863
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(carboxymethyl)piperazine-2-carboxylic acid
SMILESO=C(O)CN1CCNC(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c10-6(11)4-9-2-1-8-5(3-9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyMJNNLNHBBKKFFN-UHFFFAOYSA-N
XLogP-1.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)piperazine-2-carboxylic acid (CID 13491863) is 4-(carboxymethyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)piperazine-2-carboxylic acid is O=C(O)CN1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(carboxymethyl)piperazine-2-carboxylic acid?
The InChIKey is MJNNLNHBBKKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(11)4-9-2-1-8-5(3-9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 4-(carboxymethyl)piperazine-2-carboxylic acid?
4-(carboxymethyl)piperazine-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 13491863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).