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

C9H20N2O3 — CID 45092015

IUPACtert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate
SMILESCOC[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7(10)6-13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyKTJZGFSYVWTNHA-ZETCQYMHSA-N
MW204.27 g/mol
LogP0.48
Rot. Bonds4

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

tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate (PubChem CID 45092015) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate
PubChem CID45092015
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nametert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate
SMILESCOC[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7(10)6-13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyKTJZGFSYVWTNHA-ZETCQYMHSA-N
XLogP0.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate (CID 45092015) is tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate is COC[C@@H](N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate?
The InChIKey is KTJZGFSYVWTNHA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7(10)6-13-4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate?
tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-3-methoxypropyl]carbamate is sourced from PubChem (CID 45092015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).