methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate

C10H17NO3 — CID 103272861

IUPACmethyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(ON=C(C)C)CCC1
InChIInChI=1S/C10H17NO3/c1-8(2)11-14-10(5-4-6-10)7-9(12)13-3/h4-7H2,1-3H3
InChIKeyYVESAXGUZCPJHP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate

methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate (PubChem CID 103272861) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate
PubChem CID103272861
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(ON=C(C)C)CCC1
InChIInChI=1S/C10H17NO3/c1-8(2)11-14-10(5-4-6-10)7-9(12)13-3/h4-7H2,1-3H3
InChIKeyYVESAXGUZCPJHP-UHFFFAOYSA-N
XLogP1.88
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-[1-(oxetan-3-yloxy)cyclobutyl]acetate
CID 103272901
methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
CID 103272552
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
methyl 2-(1-tert-butylperoxycyclohexyl)acetate
CID 101349207
methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
CID 103272535
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
methyl 2-[1-[(2-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272835
methyl 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetate
CID 103520057

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate (CID 103272861) is methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate is COC(=O)CC1(ON=C(C)C)CCC1.
What is the InChIKey of methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate?
The InChIKey is YVESAXGUZCPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)11-14-10(5-4-6-10)7-9(12)13-3/h4-7H2,1-3H3.
What are the key properties of methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate?
methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate has a molecular weight of 199.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate is sourced from PubChem (CID 103272861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).