2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid

C11H19N3O4 — CID 63607802

IUPAC2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H19N3O4/c1-4-13(7-8(15)16)10(18)14-6-5-12-9(17)11(14,2)3/h4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVQEKZLUNJPYLLZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.28
Rot. Bonds3

About 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid

2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid (PubChem CID 63607802) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
PubChem CID63607802
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H19N3O4/c1-4-13(7-8(15)16)10(18)14-6-5-12-9(17)11(14,2)3/h4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVQEKZLUNJPYLLZ-UHFFFAOYSA-N
XLogP-0.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
CID 63607228
4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 120500452
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
CID 63605854
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
4-(4-ethylpiperidine-4-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63607923
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085
4-[(E)-but-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 63606699
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid (CID 63607802) is 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid?
The InChIKey is VQEKZLUNJPYLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-4-13(7-8(15)16)10(18)14-6-5-12-9(17)11(14,2)3/h4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid?
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.28, 3 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-oxopiperazine-1-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 63607802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).