1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 104921851

IUPAC1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H](N)C(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8-5-6-15(9(7-8)12(17)18)11(16)10(14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,17,18)/t8?,9?,10-/m1/s1
InChIKeyUXJPWCSUDZWEIH-UDNWOFFPSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds2

About 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid

1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 104921851) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID104921851
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H](N)C(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8-5-6-15(9(7-8)12(17)18)11(16)10(14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,17,18)/t8?,9?,10-/m1/s1
InChIKeyUXJPWCSUDZWEIH-UDNWOFFPSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
4-methyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-2-carboxylic acid
CID 103309287
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 113342421
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
CID 169193302
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid (CID 104921851) is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)[C@@H](N)C(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is UXJPWCSUDZWEIH-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-5-6-15(9(7-8)12(17)18)11(16)10(14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,17,18)/t8?,9?,10-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104921851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).