3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H19N3O5 — CID 66175544

IUPAC3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCNC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-10(2)7(15)12-4-5-14(10)9(18)13-6-11(3,19)8(16)17/h19H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUCXLELSEANRHSQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.26
Rot. Bonds3

About 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175544) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66175544
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCNC(=O)C1(C)C)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-10(2)7(15)12-4-5-14(10)9(18)13-6-11(3,19)8(16)17/h19H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUCXLELSEANRHSQ-UHFFFAOYSA-N
XLogP-1.26
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002048
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66175544) is 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)N1CCNC(=O)C1(C)C)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UCXLELSEANRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-10(2)7(15)12-4-5-14(10)9(18)13-6-11(3,19)8(16)17/h19H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).