tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate

C9H17NO3 — CID 14608296

IUPACtert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h6-7H,1-5H3/t7-/m1/s1
InChIKeyYGNLVHGLJDVIJS-SSDOTTSWSA-N
MW187.24 g/mol
LogP1.44
Rot. Bonds2

About tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate

tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate (PubChem CID 14608296) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate
PubChem CID14608296
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h6-7H,1-5H3/t7-/m1/s1
InChIKeyYGNLVHGLJDVIJS-SSDOTTSWSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-[(2R)-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-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate (CID 14608296) is tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate is C[C@H](C=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
The InChIKey is YGNLVHGLJDVIJS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(6-11)10(5)8(12)13-9(2,3)4/h6-7H,1-5H3/t7-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 14608296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).