3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid

C9H16N2O3 — CID 68686077

IUPAC3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid
SMILESCC1(C)NCCN(CCC(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-9(2)8(14)11(6-4-10-9)5-3-7(12)13/h10H,3-6H2,1-2H3,(H,12,13)
InChIKeyNRCIGUQEAAPYRN-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds3

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

3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid (PubChem CID 68686077) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid
PubChem CID68686077
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid
SMILESCC1(C)NCCN(CCC(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-9(2)8(14)11(6-4-10-9)5-3-7(12)13/h10H,3-6H2,1-2H3,(H,12,13)
InChIKeyNRCIGUQEAAPYRN-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid (CID 68686077) is 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid is CC1(C)NCCN(CCC(=O)O)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid?
The InChIKey is NRCIGUQEAAPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2)8(14)11(6-4-10-9)5-3-7(12)13/h10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid?
3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 68686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).