4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C12H21N3O5 — CID 66002048

IUPAC4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCNC(=O)C1(C)C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-11(2)9(18)13-4-5-15(11)10(19)14-7-12(3,20)6-8(16)17/h20H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyAYDKINCSJZMDLI-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.87
Rot. Bonds4

About 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002048) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002048
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCNC(=O)C1(C)C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-11(2)9(18)13-4-5-15(11)10(19)14-7-12(3,20)6-8(16)17/h20H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyAYDKINCSJZMDLI-UHFFFAOYSA-N
XLogP-0.87
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66002048) is 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N1CCNC(=O)C1(C)C)CC(=O)O.
What is the InChIKey of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is AYDKINCSJZMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-11(2)9(18)13-4-5-15(11)10(19)14-7-12(3,20)6-8(16)17/h20H,4-7H2,1-3H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).