methyl 2-acetamido-3-(2-ethylbutylamino)propanoate

C12H24N2O3 — CID 103267065

IUPACmethyl 2-acetamido-3-(2-ethylbutylamino)propanoate
SMILESCCC(CC)CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-10(6-2)7-13-8-11(12(16)17-4)14-9(3)15/h10-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLCZMPYOMGLCHES-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds8

About methyl 2-acetamido-3-(2-ethylbutylamino)propanoate

methyl 2-acetamido-3-(2-ethylbutylamino)propanoate (PubChem CID 103267065) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-ethylbutylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-ethylbutylamino)propanoate
PubChem CID103267065
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-acetamido-3-(2-ethylbutylamino)propanoate
SMILESCCC(CC)CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-10(6-2)7-13-8-11(12(16)17-4)14-9(3)15/h10-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyLCZMPYOMGLCHES-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
CID 103267901
methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-ethylbutylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-ethylbutylamino)propanoate (CID 103267065) is methyl 2-acetamido-3-(2-ethylbutylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-ethylbutylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-ethylbutylamino)propanoate is CCC(CC)CNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-ethylbutylamino)propanoate?
The InChIKey is LCZMPYOMGLCHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-10(6-2)7-13-8-11(12(16)17-4)14-9(3)15/h10-11,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(2-ethylbutylamino)propanoate?
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-ethylbutylamino)propanoate is sourced from PubChem (CID 103267065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).