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

C14H26N2O3 — CID 61006933

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-8-15(12-14(18)19)11-13(17)16-9-6-4-3-5-7-10-16/h2-12H2,1H3,(H,18,19)
InChIKeyNMSOZWVGAPROCF-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.58
Rot. Bonds6

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

2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61006933) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61006933
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-8-15(12-14(18)19)11-13(17)16-9-6-4-3-5-7-10-16/h2-12H2,1H3,(H,18,19)
InChIKeyNMSOZWVGAPROCF-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[[2-[4,7-bis[2-[bis(carboxymethyl)amino]acetyl]-1,4,7-triazonan-1-yl]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 10304966
2-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257938
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70464697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid (CID 61006933) is 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)N1CCCCCCC1.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is NMSOZWVGAPROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-8-15(12-14(18)19)11-13(17)16-9-6-4-3-5-7-10-16/h2-12H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.58, 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]-propylamino]acetic acid is sourced from PubChem (CID 61006933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).