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

C11H20N2O3 — CID 79023198

IUPAC1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC[C@H](N)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-3-8(12)9(14)13-6-4-11(2,5-7-13)10(15)16/h8H,3-7,12H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeySUIMJZYFWWDTBN-QMMMGPOBSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds3

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

1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 79023198) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID79023198
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC[C@H](N)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-3-8(12)9(14)13-6-4-11(2,5-7-13)10(15)16/h8H,3-7,12H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeySUIMJZYFWWDTBN-QMMMGPOBSA-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

(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 104876680
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid
CID 126446981
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid (CID 79023198) is 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid is CC[C@H](N)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is SUIMJZYFWWDTBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(12)9(14)13-6-4-11(2,5-7-13)10(15)16/h8H,3-7,12H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 79023198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).