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

C9H16N2O3 — CID 3157129

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyPKMOMAHHHGAGNB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds2

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

2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid (PubChem CID 3157129) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
PubChem CID3157129
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyPKMOMAHHHGAGNB-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid (CID 3157129) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is PKMOMAHHHGAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 3157129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).