4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid

C10H18N2O3 — CID 63607322

IUPAC4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCC1(C)C(=O)NCCN1CCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2)9(15)11-5-7-12(10)6-3-4-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVUOUFDUDNWNYFO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

About 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid

4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid (PubChem CID 63607322) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
PubChem CID63607322
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
SMILESCC1(C)C(=O)NCCN1CCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2)9(15)11-5-7-12(10)6-3-4-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVUOUFDUDNWNYFO-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid?
The IUPAC name of 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid (CID 63607322) is 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid is CC1(C)C(=O)NCCN1CCCC(=O)O.
What is the InChIKey of 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid?
The InChIKey is VUOUFDUDNWNYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2)9(15)11-5-7-12(10)6-3-4-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid?
4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 63607322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).