ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate

C12H24N2O3 — CID 65267148

IUPACethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-6-17-9(15)7-8-14-10(16)11(2,3)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyRIUYQLOQDQXSDV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds6

About ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate

ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate (PubChem CID 65267148) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
PubChem CID65267148
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-6-17-9(15)7-8-14-10(16)11(2,3)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyRIUYQLOQDQXSDV-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
CID 55208240
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
ethyl 3-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoylamino]propanoate
CID 108915240
diethyl hexanedioate
CID 160747628
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate (CID 65267148) is ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate is CCOC(=O)CCNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate?
The InChIKey is RIUYQLOQDQXSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-17-9(15)7-8-14-10(16)11(2,3)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16).
What are the key properties of ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate?
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate is sourced from PubChem (CID 65267148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).