4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid

C13H25N3O3 — CID 168747800

IUPAC4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid
SMILESCC(C)(N)C(=O)N1CCN(C(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)16-7-6-15(8-9(16)10(17)18)11(19)13(4,5)14/h9H,6-8,14H2,1-5H3,(H,17,18)
InChIKeyJPVKGWBAZPRMNA-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.12
Rot. Bonds2

About 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid

4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid (PubChem CID 168747800) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid
PubChem CID168747800
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid
SMILESCC(C)(N)C(=O)N1CCN(C(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)16-7-6-15(8-9(16)10(17)18)11(19)13(4,5)14/h9H,6-8,14H2,1-5H3,(H,17,18)
InChIKeyJPVKGWBAZPRMNA-UHFFFAOYSA-N
XLogP0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
2-amino-1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
CID 168747625
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 103533251
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863
(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
CID 163477906

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid?
The IUPAC name of 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid (CID 168747800) is 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid is CC(C)(N)C(=O)N1CCN(C(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid?
The InChIKey is JPVKGWBAZPRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)16-7-6-15(8-9(16)10(17)18)11(19)13(4,5)14/h9H,6-8,14H2,1-5H3,(H,17,18).
What are the key properties of 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid?
4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid is sourced from PubChem (CID 168747800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).