methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate

C12H24N2O3 — CID 65264360

IUPACmethyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-10(2,12(5,6)13)8(15)14-11(3,4)9(16)17-7/h13H2,1-7H3,(H,14,15)
InChIKeyFIQVNMJJRDFBCN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate

methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate (PubChem CID 65264360) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
PubChem CID65264360
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-10(2,12(5,6)13)8(15)14-11(3,4)9(16)17-7/h13H2,1-7H3,(H,14,15)
InChIKeyFIQVNMJJRDFBCN-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate with MolForge

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Related Compounds

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylbutanamide
CID 65269732
3-amino-N-methoxy-2,2,3-trimethylbutanamide
CID 65267021
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
CID 115431856
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
methyl 2-[(2-amino-2,3-dimethyl-3-phenylbutanoyl)amino]-2-methylpropanoate
CID 162639845
tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
CID 15689538
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798231
methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 10482842

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate (CID 65264360) is methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate?
The InChIKey is FIQVNMJJRDFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2,12(5,6)13)8(15)14-11(3,4)9(16)17-7/h13H2,1-7H3,(H,14,15).
What are the key properties of methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate?
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 65264360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).