4-pentan-3-ylpiperazine-2-carboxylic acid

C10H20N2O2 — CID 112709856

IUPAC4-pentan-3-ylpiperazine-2-carboxylic acid
SMILESCCC(CC)N1CCNC(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(4-2)12-6-5-11-9(7-12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyNZJICVRWDJZGKF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds4

About 4-pentan-3-ylpiperazine-2-carboxylic acid

4-pentan-3-ylpiperazine-2-carboxylic acid (PubChem CID 112709856) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-pentan-3-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-pentan-3-ylpiperazine-2-carboxylic acid
PubChem CID112709856
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-pentan-3-ylpiperazine-2-carboxylic acid
SMILESCCC(CC)N1CCNC(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(4-2)12-6-5-11-9(7-12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyNZJICVRWDJZGKF-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-ylpiperazine-2-carboxylic acid?
The IUPAC name of 4-pentan-3-ylpiperazine-2-carboxylic acid (CID 112709856) is 4-pentan-3-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-pentan-3-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-pentan-3-ylpiperazine-2-carboxylic acid is CCC(CC)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-pentan-3-ylpiperazine-2-carboxylic acid?
The InChIKey is NZJICVRWDJZGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(4-2)12-6-5-11-9(7-12)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-pentan-3-ylpiperazine-2-carboxylic acid?
4-pentan-3-ylpiperazine-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 112709856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).