1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid

C13H23N3O4 — CID 107439808

IUPAC1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)C(C)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-13(3,4)15-11(18)8(2)16-7-10(17)14-6-9(16)12(19)20/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyDLFZHVFFNKLUTH-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.44
Rot. Bonds5

About 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid

1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439808) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439808
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)C(C)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-5-13(3,4)15-11(18)8(2)16-7-10(17)14-6-9(16)12(19)20/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyDLFZHVFFNKLUTH-UHFFFAOYSA-N
XLogP-0.44
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid (CID 107439808) is 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid is CCC(C)(C)NC(=O)C(C)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is DLFZHVFFNKLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-13(3,4)15-11(18)8(2)16-7-10(17)14-6-9(16)12(19)20/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid?
1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).