tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate

C9H20N2O2 — CID 24256598

IUPACtert-butyl N-[(2S)-1-(methylamino)propan-2-yl]carbamate
SMILESC[C@@H](CNC)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(6-10-5)11-8(12)13-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyLKEWKAVKGVXBTD-ZETCQYMHSA-N
MW188.27 g/mol
LogP0.90
Rot. Bonds5

About tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate

tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate (PubChem CID 24256598) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(methylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate
PubChem CID24256598
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl N-[(2S)-1-(methylamino)propan-2-yl]carbamate
SMILESC[C@@H](CNC)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(6-10-5)11-8(12)13-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyLKEWKAVKGVXBTD-ZETCQYMHSA-N
XLogP0.90
TPSA50.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity163

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate?
The IUPAC name of tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate (CID 24256598) is tert-butyl N-[(2S)-1-(methylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate is C[C@@H](CNC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate?
The InChIKey is LKEWKAVKGVXBTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(6-10-5)11-8(12)13-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate?
tert-butyl N-((2S)-1-(methylamino)propan-2-yl)carbamate has a molecular weight of 188.27 g/mol, XLogP of 0.90, 5 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-(methylamino)propan-2-yl)carbamate is sourced from PubChem (CID 24256598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).