[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate

C15H25NO5 — CID 134869384

IUPAC[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
SMILESCC(=O)C/C=C\C(OC(C)=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m0/s1
InChIKeyOUBBDAMAUNOKIY-WSABTXTISA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds6

About [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate

[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate (PubChem CID 134869384) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
PubChem CID134869384
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
SMILESCC(=O)C/C=C\C(OC(C)=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m0/s1
InChIKeyOUBBDAMAUNOKIY-WSABTXTISA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate 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

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl (E)-4-oxopent-2-enoate
CID 155553536
tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate
CID 46189445
ethyl (E,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 134863933
(1R,4S)-Acetic acid 4-tert-butoxycarbonylamino-cyclopent-2-enyl ester
CID 11333942
[(Z)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohex-3-en-2-yl] acetate
CID 10869395
methyl (E,2S)-6-ethoxycarbonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
CID 10947516
methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10956274
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
CID 51041485
Ethyl (e)-3-acetoxy-2-t-butoxycarbonylamino-4-hexenoate
CID 129710167
Ethyl (e)-3-acetoxy-2-t-butoxycarbonylamino-4-octenoate
CID 129710203
Ethyl (e)-3-acetoxy-2-t-butoxycarbonylamino-4-heptenoate
CID 129710250
ethyl (Z)-6-(2-bromoacetyl)oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
CID 134834927

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The IUPAC name of [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate (CID 134869384) is [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate.
What is the SMILES notation for [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The canonical SMILES for [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate is CC(=O)C/C=C\C(OC(C)=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The InChIKey is OUBBDAMAUNOKIY-WSABTXTISA-N. The full InChI is InChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m0/s1.
What are the key properties of [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate has a molecular weight of 299.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate is sourced from PubChem (CID 134869384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).