tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate

C9H20N2O2 — CID 86316718

IUPACtert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate
SMILESC[C@@H](CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyORDMEFMUSKDHOL-ZETCQYMHSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds3

About tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate

tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate (PubChem CID 86316718) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate
PubChem CID86316718
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate
SMILESC[C@@H](CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyORDMEFMUSKDHOL-ZETCQYMHSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.11
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)-3-amino-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate (CID 86316718) is tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate is C[C@@H](CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate?
The InChIKey is ORDMEFMUSKDHOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate?
tert-butyl N-[(2S)-3-amino-2-methylpropyl]carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 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)-3-amino-2-methylpropyl]carbamate is sourced from PubChem (CID 86316718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).