methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate

C12H24N2O3 — CID 103254421

IUPACmethyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
SMILESCOC(=O)C(CNCC(C)C(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(3)6-13-7-11(12(16)17-5)14-10(4)15/h8-9,11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyZFWGCELQVJHVQJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds7

About methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate

methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate (PubChem CID 103254421) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
PubChem CID103254421
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
SMILESCOC(=O)C(CNCC(C)C(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(3)6-13-7-11(12(16)17-5)14-10(4)15/h8-9,11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyZFWGCELQVJHVQJ-UHFFFAOYSA-N
XLogP0.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetamido-3-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[(2-methylthiolan-2-yl)methylamino]propanoate
CID 103259913
methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate (CID 103254421) is methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate is COC(=O)C(CNCC(C)C(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate?
The InChIKey is ZFWGCELQVJHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)9(3)6-13-7-11(12(16)17-5)14-10(4)15/h8-9,11,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate?
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate is sourced from PubChem (CID 103254421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).