methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate

C12H24N2O3 — CID 103265262

IUPACmethyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
SMILESCOC(=O)C(CNC(C)C(C)(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-8(12(3,4)5)13-7-10(11(16)17-6)14-9(2)15/h8,10,13H,7H2,1-6H3,(H,14,15)
InChIKeyDDHIMJXFTZLBOO-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds5

About methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate

methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate (PubChem CID 103265262) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
PubChem CID103265262
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
SMILESCOC(=O)C(CNC(C)C(C)(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-8(12(3,4)5)13-7-10(11(16)17-6)14-9(2)15/h8,10,13H,7H2,1-6H3,(H,14,15)
InChIKeyDDHIMJXFTZLBOO-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
CID 103262789
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
CID 103241769
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate (CID 103265262) is methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate is COC(=O)C(CNC(C)C(C)(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate?
The InChIKey is DDHIMJXFTZLBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(12(3,4)5)13-7-10(11(16)17-6)14-9(2)15/h8,10,13H,7H2,1-6H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate?
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate is sourced from PubChem (CID 103265262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).