tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate

C10H21NO4 — CID 87486747

IUPACtert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
SMILESCOC[C@@H](CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(12)11-6-8(14-5)7-13-4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1
InChIKeyPQYBOHSCYPTACI-MRVPVSSYSA-N
MW219.28 g/mol
LogP1.17
Rot. Bonds5

About tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate

tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate (PubChem CID 87486747) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
PubChem CID87486747
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
SMILESCOC[C@@H](CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(12)11-6-8(14-5)7-13-4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1
InChIKeyPQYBOHSCYPTACI-MRVPVSSYSA-N
XLogP1.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632
N-(2,3-dimethoxypropyl)-2-hydroxy-2-methylpropanamide
CID 106509940
tert-butyl N-[2-(2,3-dimethoxypropoxy)-3-iodo-2-methylpropyl]carbamate
CID 165489670
tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
CID 58758815
tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate
CID 58242020
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[3-bromo-2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropyl]carbamate
CID 165489237
tert-butyl N-[2-(hydroxymethyl)-5-methoxypentyl]carbamate
CID 106508903
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
2-(2,3-dimethoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 114101634
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
CID 59704846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate (CID 87486747) is tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate is COC[C@@H](CNC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate?
The InChIKey is PQYBOHSCYPTACI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(12)11-6-8(14-5)7-13-4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate?
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate is sourced from PubChem (CID 87486747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).