1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid

C11H20N2O3 — CID 103871148

IUPAC1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC[C@H](N)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-5-4-7(2)6-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyOYTSIZJHRRNZFP-MGURRDGZSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds3

About 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid

1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 103871148) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID103871148
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC[C@H](N)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-5-4-7(2)6-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyOYTSIZJHRRNZFP-MGURRDGZSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 113342421
4-methyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-2-carboxylic acid
CID 103309287
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 62331604
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid (CID 103871148) is 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid is CC[C@H](N)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is OYTSIZJHRRNZFP-MGURRDGZSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-5-4-7(2)6-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 103871148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).