1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C13H23N3O4 — CID 106097897

IUPAC1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)(C)CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8-4-5-16(9(6-8)11(18)19)12(20)15-13(2,3)7-10(14)17/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXRUBKRNQQCNJNL-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds4

About 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 106097897) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID106097897
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)(C)CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8-4-5-16(9(6-8)11(18)19)12(20)15-13(2,3)7-10(14)17/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXRUBKRNQQCNJNL-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
CID 106097979
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114424736
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 106097897) is 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NC(C)(C)CC(N)=O)C(C(=O)O)C1.
What is the InChIKey of 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is XRUBKRNQQCNJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8-4-5-16(9(6-8)11(18)19)12(20)15-13(2,3)7-10(14)17/h8-9H,4-7H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 106097897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).