2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

C15H28N2O3 — CID 60834213

IUPAC2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N1CCCCC1CC
InChIInChI=1S/C15H28N2O3/c1-4-12(3)16(11-15(19)20)10-14(18)17-9-7-6-8-13(17)5-2/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyLMVMOUYYFPYEQE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.96
Rot. Bonds7

About 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 60834213) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID60834213
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N1CCCCC1CC
InChIInChI=1S/C15H28N2O3/c1-4-12(3)16(11-15(19)20)10-14(18)17-9-7-6-8-13(17)5-2/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyLMVMOUYYFPYEQE-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62021216
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61407553
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (CID 60834213) is 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is CCC(C)N(CC(=O)O)CC(=O)N1CCCCC1CC.
What is the InChIKey of 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is LMVMOUYYFPYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(3)16(11-15(19)20)10-14(18)17-9-7-6-8-13(17)5-2/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).