tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate

C12H22N2O3 — CID 86678914

IUPACtert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
SMILESCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-9(8-6-7-8)10(15)14(4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyIICMEQAOFJUEFN-VIFPVBQESA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate

tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate (PubChem CID 86678914) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
PubChem CID86678914
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
SMILESCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-9(8-6-7-8)10(15)14(4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyIICMEQAOFJUEFN-VIFPVBQESA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate (CID 86678914) is tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate is CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate?
The InChIKey is IICMEQAOFJUEFN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-9(8-6-7-8)10(15)14(4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 86678914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).