3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid

C13H24N2O3 — CID 43468436

IUPAC3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
SMILESCC(C)C(NCC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-7-5-4-6-10(15)3/h9-10,12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyGMJRRFSVQXFUFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid

3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid (PubChem CID 43468436) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
PubChem CID43468436
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
SMILESCC(C)C(NCC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-7-5-4-6-10(15)3/h9-10,12,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyGMJRRFSVQXFUFU-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
CID 122099884
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid (CID 43468436) is 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid is CC(C)C(NCC(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid?
The InChIKey is GMJRRFSVQXFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)12(13(17)18)14-8-11(16)15-7-5-4-6-10(15)3/h9-10,12,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid?
3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43468436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).