ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate

C12H23NO3 — CID 61012376

IUPACethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCC(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-12(15)16-6-2)11(14)8-7-10(3)4/h10H,5-9H2,1-4H3
InChIKeyCNEZDPMDZYDKJL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds7

About ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate

ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate (PubChem CID 61012376) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
PubChem CID61012376
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCC(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-12(15)16-6-2)11(14)8-7-10(3)4/h10H,5-9H2,1-4H3
InChIKeyCNEZDPMDZYDKJL-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
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ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
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ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
CID 107905016
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
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N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 78790706
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate (CID 61012376) is ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate is CCOC(=O)CN(CC)C(=O)CCC(C)C.
What is the InChIKey of ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate?
The InChIKey is CNEZDPMDZYDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(9-12(15)16-6-2)11(14)8-7-10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate?
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate is sourced from PubChem (CID 61012376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).