methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate

C13H25N3O4 — CID 103262789

IUPACmethyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)C(CNC(C)C(=O)NC(C)(C)C)NC(C)=O
InChIInChI=1S/C13H25N3O4/c1-8(11(18)16-13(3,4)5)14-7-10(12(19)20-6)15-9(2)17/h8,10,14H,7H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyBRTZMURWGJRBSF-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.44
Rot. Bonds6

About methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate

methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 103262789) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID103262789
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Namemethyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)C(CNC(C)C(=O)NC(C)(C)C)NC(C)=O
InChIInChI=1S/C13H25N3O4/c1-8(11(18)16-13(3,4)5)14-7-10(12(19)20-6)15-9(2)17/h8,10,14H,7H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyBRTZMURWGJRBSF-UHFFFAOYSA-N
XLogP-0.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]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-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
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-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464916
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
CID 103241769
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(4-propan-2-yloxyanilino)propanoate
CID 103236649

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate (CID 103262789) is methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate is COC(=O)C(CNC(C)C(=O)NC(C)(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is BRTZMURWGJRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-8(11(18)16-13(3,4)5)14-7-10(12(19)20-6)15-9(2)17/h8,10,14H,7H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate?
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 287.36 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 103262789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).