1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid

C9H16N2O4 — CID 18712905

IUPAC1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
SMILESCC(C)OC(=O)N1CCNCC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)15-9(14)11-4-3-10-5-7(11)8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyKFJRQRAKUMIOEM-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds2

About 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid

1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid (PubChem CID 18712905) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
PubChem CID18712905
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
SMILESCC(C)OC(=O)N1CCNCC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(2)15-9(14)11-4-3-10-5-7(11)8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyKFJRQRAKUMIOEM-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid?
The IUPAC name of 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid (CID 18712905) is 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid is CC(C)OC(=O)N1CCNCC1C(=O)O.
What is the InChIKey of 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid?
The InChIKey is KFJRQRAKUMIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(2)15-9(14)11-4-3-10-5-7(11)8(12)13/h6-7,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid?
1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 18712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).