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

C10H20N2O5 — CID 11075799

IUPACtert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-10(2,3)17-9(15)11-7(6-13)8(14)12(4)16-5/h7,13H,6H2,1-5H3,(H,11,15)/t7-/m0/s1
InChIKeyDJHNFMPUFGYKTR-ZETCQYMHSA-N
MW248.28 g/mol
LogP-0.11
Rot. Bonds4

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

tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 11075799) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID11075799
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-10(2,3)17-9(15)11-7(6-13)8(14)12(4)16-5/h7,13H,6H2,1-5H3,(H,11,15)/t7-/m0/s1
InChIKeyDJHNFMPUFGYKTR-ZETCQYMHSA-N
XLogP-0.11
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 11075799) is tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is CON(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is DJHNFMPUFGYKTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-10(2,3)17-9(15)11-7(6-13)8(14)12(4)16-5/h7,13H,6H2,1-5H3,(H,11,15)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 248.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).