tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride

C10H20FNO2 — CID 88512877

IUPACtert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride
SMILESC=C(CCCN)C(=O)OC(C)(C)C.F
InChIInChI=1S/C10H19NO2.FH/c1-8(6-5-7-11)9(12)13-10(2,3)4;/h1,5-7,11H2,2-4H3;1H
InChIKeyJRRFQUZSLABKRA-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride

tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride (PubChem CID 88512877) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride.

Molecular Properties

Compound Nametert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride
PubChem CID88512877
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Nametert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride
SMILESC=C(CCCN)C(=O)OC(C)(C)C.F
InChIInChI=1S/C10H19NO2.FH/c1-8(6-5-7-11)9(12)13-10(2,3)4;/h1,5-7,11H2,2-4H3;1H
InChIKeyJRRFQUZSLABKRA-UHFFFAOYSA-N
XLogP1.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-ethyl-2-methylideneoctanoate
CID 139878486
tert-butyl 2-methylidene-5-oxopentanoate
CID 177437390
tert-butyl 2-(bromomethyl)prop-2-enoate
CID 10955115
ditert-butyl oxalate;hydrazine
CID 88669499
tert-butyl 2,4-dimethylideneoctanoate
CID 13171544
4-aminobutyl 6-amino-2-methylidenehexanoate
CID 57271260
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-ene-1-sulfonic acid
CID 87208629
2-aminoethyl 2-methylidenehexanoate
CID 54444822
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
3-methylpentan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 102381313
tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate
CID 89381483
trifluoromethyl 2-methylidenedecanoate
CID 90990908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride?
The IUPAC name of tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride (CID 88512877) is tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride.
What is the SMILES notation for tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride?
The canonical SMILES for tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride is C=C(CCCN)C(=O)OC(C)(C)C.F.
What is the InChIKey of tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride?
The InChIKey is JRRFQUZSLABKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.FH/c1-8(6-5-7-11)9(12)13-10(2,3)4;/h1,5-7,11H2,2-4H3;1H.
What are the key properties of tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride?
tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride has a molecular weight of 205.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-2-methylidenepentanoate;hydrofluoride is sourced from PubChem (CID 88512877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).