tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate

C10H20N2O3 — CID 11241393

IUPACtert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m0/s1
InChIKeyNZSZYROZOXUFSG-ZETCQYMHSA-N
MW216.28 g/mol
LogP1.02
Rot. Bonds3

About tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 11241393) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID11241393
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m0/s1
InChIKeyNZSZYROZOXUFSG-ZETCQYMHSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate (CID 11241393) is tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NZSZYROZOXUFSG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 11241393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).