methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H21NO5 — CID 62953627

IUPACmethyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCC(CC)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H21NO5/c1-5-9(6-2)12(16)13(7-10(14)17-3)8-11(15)18-4/h9H,5-8H2,1-4H3
InChIKeyIBNTVBHKIGBHNQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.60
Rot. Bonds7

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

methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62953627) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62953627
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCC(CC)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H21NO5/c1-5-9(6-2)12(16)13(7-10(14)17-3)8-11(15)18-4/h9H,5-8H2,1-4H3
InChIKeyIBNTVBHKIGBHNQ-UHFFFAOYSA-N
XLogP0.60
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
N,N-bis(2-chloroethyl)-2-ethylbutanamide
CID 79018634
methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79507050
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62953627) is methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate is CCC(CC)C(=O)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is IBNTVBHKIGBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-5-9(6-2)12(16)13(7-10(14)17-3)8-11(15)18-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 259.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62953627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).