methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate

C11H22N2O4 — CID 63383203

IUPACmethyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCCCCN)CC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-16-10(14)8-13(9-11(15)17-2)7-5-3-4-6-12/h3-9,12H2,1-2H3
InChIKeyRICAHHCDTZYHNJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.24
Rot. Bonds9

About methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 63383203) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID63383203
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCCCCN)CC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-16-10(14)8-13(9-11(15)17-2)7-5-3-4-6-12/h3-9,12H2,1-2H3
InChIKeyRICAHHCDTZYHNJ-UHFFFAOYSA-N
XLogP-0.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.24
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

6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 106708104
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 6-[3-aminopropyl(butyl)amino]hexanoate
CID 89208280
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 10-aminodecanoate
CID 10655700
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 63383203) is methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCCCCN)CC(=O)OC.
What is the InChIKey of methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is RICAHHCDTZYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-10(14)8-13(9-11(15)17-2)7-5-3-4-6-12/h3-9,12H2,1-2H3.
What are the key properties of methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 63383203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).