tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate

C10H21NO5 — CID 11207068

IUPACtert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyRFSMSDQWSLCQLY-QMMMGPOBSA-N
MW235.28 g/mol
LogP0.49
Rot. Bonds6

About tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate (PubChem CID 11207068) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
PubChem CID11207068
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
SMILESCOCOC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyRFSMSDQWSLCQLY-QMMMGPOBSA-N
XLogP0.49
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-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)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate (CID 11207068) is tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate is COCOC[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
The InChIKey is RFSMSDQWSLCQLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO5/c1-10(2,3)16-9(13)11-8(5-12)6-15-7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 11207068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).