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

C10H18N2O3 — CID 79621656

IUPAC2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCC1C(=O)NCCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-8(13)11-4-5-12(7)6-10(2,3)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyQWZMMCGRXUDRJP-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds3

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

2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid (PubChem CID 79621656) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid
PubChem CID79621656
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCC1C(=O)NCCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-8(13)11-4-5-12(7)6-10(2,3)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyQWZMMCGRXUDRJP-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid (CID 79621656) is 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid is CC1C(=O)NCCN1CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is QWZMMCGRXUDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-8(13)11-4-5-12(7)6-10(2,3)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid?
2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 79621656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).