1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 114424749

IUPAC1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCCC(C)(N)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-13(3,14)12(18)15-7-5-9(2)8-10(15)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyMDVNSPDEVKAQOM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds4

About 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid

1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114424749) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114424749
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCCC(C)(N)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-13(3,14)12(18)15-7-5-9(2)8-10(15)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChIKeyMDVNSPDEVKAQOM-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780398
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
4-methyl-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 114421327
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 113342421

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid (CID 114424749) is 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid is CCCC(C)(N)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MDVNSPDEVKAQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-13(3,14)12(18)15-7-5-9(2)8-10(15)11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114424749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).