tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate

C13H26N2O3 — CID 113331473

IUPACtert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
SMILESCC(C)NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-8(2)10(11(16)18-13(5,6)7)15-12(17)14-9(3)4/h8-10H,1-7H3,(H2,14,15,17)/t10-/m1/s1
InChIKeyVSNXSPRQIPOZPQ-SNVBAGLBSA-N
MW258.36 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate

tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate (PubChem CID 113331473) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
PubChem CID113331473
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
SMILESCC(C)NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-8(2)10(11(16)18-13(5,6)7)15-12(17)14-9(3)4/h8-10H,1-7H3,(H2,14,15,17)/t10-/m1/s1
InChIKeyVSNXSPRQIPOZPQ-SNVBAGLBSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate 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

(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)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
tert-butyl 3-methyl-2-[(3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoate
CID 143356451
methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 4662809
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 (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
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 (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
CID 113322495
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate (CID 113331473) is tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate is CC(C)NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
The InChIKey is VSNXSPRQIPOZPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8(2)10(11(16)18-13(5,6)7)15-12(17)14-9(3)4/h8-10H,1-7H3,(H2,14,15,17)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate?
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate has a molecular weight of 258.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate is sourced from PubChem (CID 113331473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).