2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid

C15H28N2O3 — CID 60832959

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-13(2)17(12-15(19)20)11-14(18)16-9-7-5-4-6-8-10-16/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyUKMLYUZCNPHMKM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.96
Rot. Bonds6

About 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid

2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid (PubChem CID 60832959) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
PubChem CID60832959
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-13(2)17(12-15(19)20)11-14(18)16-9-7-5-4-6-8-10-16/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyUKMLYUZCNPHMKM-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[butan-2-yl-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834213
2-[[(2S)-butan-2-yl]-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]amino]acetic acid
CID 124683757
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 62016645
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid (CID 60832959) is 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)CC(=O)N1CCCCCCC1.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid?
The InChIKey is UKMLYUZCNPHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-13(2)17(12-15(19)20)11-14(18)16-9-7-5-4-6-8-10-16/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid?
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid is sourced from PubChem (CID 60832959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).