tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate

C9H19NO3 — CID 131045912

IUPACtert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
SMILESC[C@H](CO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3/t7-/m1/s1
InChIKeyWEPXAYUSJHQWOO-SSDOTTSWSA-N
MW189.25 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate (PubChem CID 131045912) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
PubChem CID131045912
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
SMILESC[C@H](CO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3/t7-/m1/s1
InChIKeyWEPXAYUSJHQWOO-SSDOTTSWSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate 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-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
tert-butyl N-methyl-N-[4-[methyl(propan-2-yl)amino]pentan-2-yl]carbamate
CID 146561682
tert-butyl N-(1-isocyanopropan-2-yl)-N-methylcarbamate
CID 82658144
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
CID 145146307
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 4639500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate (CID 131045912) is tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate is C[C@H](CO)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate?
The InChIKey is WEPXAYUSJHQWOO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 131045912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).