ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate

C12H23N3O4 — CID 54871139

IUPACethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)CNC(=O)CN
InChIInChI=1S/C12H23N3O4/c1-4-19-12(18)8-15(7-9(2)3)11(17)6-14-10(16)5-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyMAIZUOBWRJQYQN-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.89
Rot. Bonds8

About ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate (PubChem CID 54871139) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
PubChem CID54871139
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)CNC(=O)CN
InChIInChI=1S/C12H23N3O4/c1-4-19-12(18)8-15(7-9(2)3)11(17)6-14-10(16)5-13/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyMAIZUOBWRJQYQN-UHFFFAOYSA-N
XLogP-0.89
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60947748
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CID 79470304
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
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CID 25184628
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
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ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
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ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate
CID 145085652
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
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2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate (CID 54871139) is ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)CNC(=O)CN.
What is the InChIKey of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate?
The InChIKey is MAIZUOBWRJQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-19-12(18)8-15(7-9(2)3)11(17)6-14-10(16)5-13/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of -0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 54871139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).