tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate

C14H24N2O5 — CID 176706210

IUPACtert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate
SMILESC=CCOC(=O)NCC1(OCC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C14H24N2O5/c1-5-6-19-12(18)16-10-14(8-15-9-14)20-7-11(17)21-13(2,3)4/h5,15H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyKICODCWFFAXLGK-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.60
Rot. Bonds7

About tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate

tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate (PubChem CID 176706210) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate
PubChem CID176706210
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nametert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate
SMILESC=CCOC(=O)NCC1(OCC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C14H24N2O5/c1-5-6-19-12(18)16-10-14(8-15-9-14)20-7-11(17)21-13(2,3)4/h5,15H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyKICODCWFFAXLGK-UHFFFAOYSA-N
XLogP0.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate 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 2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetate
CID 11097680
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
2-(aminomethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 11078068
tert-butyl N-[(1R,2R)-1-[(4,4-dimethylpent-2-enoxycarbonylamino)methyl]-2-ethenylcyclopropyl]carbamate
CID 176719507
tert-butyl 2-(ethylcarbamoylamino)oxyacetate
CID 86658798
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
CID 155895291
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
tert-butyl 2-pent-4-enoxyacetate
CID 15072345
[(2S)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-1-prop-2-enoxypentan-2-yl]azanium
CID 7015064
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate (CID 176706210) is tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate is C=CCOC(=O)NCC1(OCC(=O)OC(C)(C)C)CNC1.
What is the InChIKey of tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate?
The InChIKey is KICODCWFFAXLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-6-19-12(18)16-10-14(8-15-9-14)20-7-11(17)21-13(2,3)4/h5,15H,1,6-10H2,2-4H3,(H,16,18).
What are the key properties of tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate?
tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate has a molecular weight of 300.36 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[(prop-2-enoxycarbonylamino)methyl]azetidin-3-yl]oxyacetate is sourced from PubChem (CID 176706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).