tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate

C14H22N2O4 — CID 162695424

IUPACtert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C=C1CC2(CC2)NC1=O)CO
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4-5-14)16-11(9)18/h6,10,17H,4-5,7-8H2,1-3H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyICTLTLIZKLSOQI-JTQLQIEISA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds3

About tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate (PubChem CID 162695424) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate
PubChem CID162695424
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C=C1CC2(CC2)NC1=O)CO
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4-5-14)16-11(9)18/h6,10,17H,4-5,7-8H2,1-3H3,(H,15,19)(H,16,18)/t10-/m0/s1
InChIKeyICTLTLIZKLSOQI-JTQLQIEISA-N
XLogP0.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-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

Related Compounds

tert-butyl N-[(2S,3E)-1-hydroxy-3-(2-oxopyrrolidin-3-ylidene)propan-2-yl]carbamate
CID 10945048
tert-butyl N-[(2S)-1-hydroxy-3-(2-oxopyrrolidin-3-ylidene)propan-2-yl]carbamate
CID 91300404
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxo-4-azaspiro[2.5]octan-6-yl)propanoate
CID 166893567
CID 58879226
CID 58879226
tert-butyl N-[(1E,2S)-4-methyl-1-(2-oxooxolan-3-ylidene)pentan-2-yl]carbamate
CID 71812869
tert-butyl N-[(E,2S)-4-diethoxyphosphoryl-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 58906699
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate
CID 23559959
tert-butyl N-[(2S)-1-[(3S)-1-deuterio-2-oxopyrrolidin-3-yl]-3-hydroxypropan-2-yl]carbamate
CID 59038106
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(E,2S)-4-(4-bromophenyl)-1-hydroxybut-3-en-2-yl]carbamate
CID 67156334

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate (CID 162695424) is tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](C=C1CC2(CC2)NC1=O)CO.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate?
The InChIKey is ICTLTLIZKLSOQI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4-5-14)16-11(9)18/h6,10,17H,4-5,7-8H2,1-3H3,(H,15,19)(H,16,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-(5-oxo-4-azaspiro[2.4]heptan-6-ylidene)propan-2-yl]carbamate is sourced from PubChem (CID 162695424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).