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

C8H15NO3 — CID 10910049

IUPACtert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyOEQRZPWMXXJEKU-ZCFIWIBFSA-N
MW173.21 g/mol
LogP1.10
Rot. Bonds2

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

tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate (PubChem CID 10910049) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate
PubChem CID10910049
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyOEQRZPWMXXJEKU-ZCFIWIBFSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate (CID 10910049) is tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate is C[C@H](C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate?
The InChIKey is OEQRZPWMXXJEKU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxopropan-2-yl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 1.10, 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-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10910049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).