tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate

C14H28N2O3 — CID 113331477

IUPACtert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)10(11(17)19-14(6,7)8)15-12(18)16-13(3,4)5/h9-10H,1-8H3,(H2,15,16,18)/t10-/m1/s1
InChIKeyIZNGJDNMZBNKBM-SNVBAGLBSA-N
MW272.39 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate

tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate (PubChem CID 113331477) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
PubChem CID113331477
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)10(11(17)19-14(6,7)8)15-12(18)16-13(3,4)5/h9-10H,1-8H3,(H2,15,16,18)/t10-/m1/s1
InChIKeyIZNGJDNMZBNKBM-SNVBAGLBSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
tert-butyl 3-methyl-2-[(3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoate
CID 143356451
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]but-2-enoic acid
CID 173252164
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
tert-butyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 58786092
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate (CID 113331477) is tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate is CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
The InChIKey is IZNGJDNMZBNKBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-9(2)10(11(17)19-14(6,7)8)15-12(18)16-13(3,4)5/h9-10H,1-8H3,(H2,15,16,18)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate?
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate has a molecular weight of 272.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate is sourced from PubChem (CID 113331477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).