6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid

C12H21NO6 — CID 86014416

IUPAC6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
SMILESCOC(=O)CN(CCCCCC(=O)O)CC(=O)OC
InChIInChI=1S/C12H21NO6/c1-18-11(16)8-13(9-12(17)19-2)7-5-3-4-6-10(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyAHVULSYAPUZJCG-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.28
Rot. Bonds10

About 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid

6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid (PubChem CID 86014416) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
PubChem CID86014416
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
SMILESCOC(=O)CN(CCCCCC(=O)O)CC(=O)OC
InChIInChI=1S/C12H21NO6/c1-18-11(16)8-13(9-12(17)19-2)7-5-3-4-6-10(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyAHVULSYAPUZJCG-UHFFFAOYSA-N
XLogP0.28
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The IUPAC name of 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid (CID 86014416) is 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid.
What is the SMILES notation for 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The canonical SMILES for 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid is COC(=O)CN(CCCCCC(=O)O)CC(=O)OC.
What is the InChIKey of 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The InChIKey is AHVULSYAPUZJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-18-11(16)8-13(9-12(17)19-2)7-5-3-4-6-10(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid?
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid has a molecular weight of 275.30 g/mol, XLogP of 0.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid is sourced from PubChem (CID 86014416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).