tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate

C9H20N2O3 — CID 58981742

IUPACtert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate
SMILESCNCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)5-10-4/h7,10,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyPFBXYIOWRYJKIW-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds4

About tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate

tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate (PubChem CID 58981742) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate
PubChem CID58981742
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nametert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate
SMILESCNCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)5-10-4/h7,10,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyPFBXYIOWRYJKIW-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate (CID 58981742) is tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate is CNCC(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate?
The InChIKey is PFBXYIOWRYJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)5-10-4/h7,10,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate?
tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-(methylamino)propyl]carbamate is sourced from PubChem (CID 58981742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).