methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate

C12H23NO4 — CID 62012348

IUPACmethyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
SMILESCCCCOC(=O)CN(CCC)CC(=O)OC
InChIInChI=1S/C12H23NO4/c1-4-6-8-17-12(15)10-13(7-5-2)9-11(14)16-3/h4-10H2,1-3H3
InChIKeyVJCQOWDLBBCACZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds9

About methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate

methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate (PubChem CID 62012348) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
PubChem CID62012348
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
SMILESCCCCOC(=O)CN(CCC)CC(=O)OC
InChIInChI=1S/C12H23NO4/c1-4-6-8-17-12(15)10-13(7-5-2)9-11(14)16-3/h4-10H2,1-3H3
InChIKeyVJCQOWDLBBCACZ-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
CID 101491584
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 61067683

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate (CID 62012348) is methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate is CCCCOC(=O)CN(CCC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate?
The InChIKey is VJCQOWDLBBCACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-6-8-17-12(15)10-13(7-5-2)9-11(14)16-3/h4-10H2,1-3H3.
What are the key properties of methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate?
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate is sourced from PubChem (CID 62012348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).