tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate

C12H21N3O3 — CID 102730821

IUPACtert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C#N)N1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyPBRBKVYZJKTTBO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.74
Rot. Bonds3

About tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate

tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate (PubChem CID 102730821) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
PubChem CID102730821
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nametert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C#N)N1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyPBRBKVYZJKTTBO-UHFFFAOYSA-N
XLogP0.74
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate
CID 59773449
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
tert-butyl N-(3-cyano-3-pyrrolidin-1-ylpropyl)carbamate
CID 102730817
tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
CID 102730820
[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 68663892
tert-butyl N-[2,3-dihydroxy-3-(3-morpholin-4-ylphenyl)propyl]carbamate
CID 170832952
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[3-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886554
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[3-cyano-3-(ethylamino)-2-methylpropyl]carbamate
CID 130604565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate (CID 102730821) is tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(C#N)N1CCOCC1.
What is the InChIKey of tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate?
The InChIKey is PBRBKVYZJKTTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate?
tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate has a molecular weight of 255.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 102730821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).