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

C10H19NO4 — CID 170585055

IUPACtert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCOC[C@](C)(C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,6-12)7-14-5/h6H,7H2,1-5H3,(H,11,13)/t10-/m0/s1
InChIKeyREFNDTBLFMWBKS-JTQLQIEISA-N
MW217.26 g/mol
LogP1.12
Rot. Bonds4

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

tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate (PubChem CID 170585055) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate
PubChem CID170585055
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCOC[C@](C)(C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,6-12)7-14-5/h6H,7H2,1-5H3,(H,11,13)/t10-/m0/s1
InChIKeyREFNDTBLFMWBKS-JTQLQIEISA-N
XLogP1.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate (CID 170585055) is tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate is COC[C@](C)(C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate?
The InChIKey is REFNDTBLFMWBKS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(4,6-12)7-14-5/h6H,7H2,1-5H3,(H,11,13)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 170585055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).