tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate

C13H26N2O3 — CID 103775011

IUPACtert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)CN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)11(12(17)18-13(3,4)5)14-10(16)8-15(6)7/h9,11H,8H2,1-7H3,(H,14,16)/t11-/m1/s1
InChIKeyHKUOYLABEXRSGS-LLVKDONJSA-N
MW258.36 g/mol
LogP1.03
Rot. Bonds5

About tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate

tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate (PubChem CID 103775011) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
PubChem CID103775011
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)CN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)11(12(17)18-13(3,4)5)14-10(16)8-15(6)7/h9,11H,8H2,1-7H3,(H,14,16)/t11-/m1/s1
InChIKeyHKUOYLABEXRSGS-LLVKDONJSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
tert-butyl (2S)-2-amino-5-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 10066982
tert-butyl (2R)-2-[(2-acetamidoacetyl)amino]-3-methylbutanoate
CID 81003713
tert-butyl (2R)-3-methyl-2-(3-methylsulfanylpropanoylamino)butanoate
CID 81003425
tert-butyl (2S)-2-(3-acetamidopropanoylamino)-3-methylbutanoate
CID 80707260
tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
CID 81003942
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate (CID 103775011) is tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate is CC(C)[C@@H](NC(=O)CN(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate?
The InChIKey is HKUOYLABEXRSGS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)11(12(17)18-13(3,4)5)14-10(16)8-15(6)7/h9,11H,8H2,1-7H3,(H,14,16)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate?
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate has a molecular weight of 258.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 103775011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).