methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid

C15H27NO4 — CID 141011598

IUPACmethyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OC)C(CC)N(CC)CC.C=C(C)C(=O)O
InChIInChI=1S/C11H21NO2.C4H6O2/c1-6-10(12(7-2)8-3)9(4)11(13)14-5;1-3(2)4(5)6/h10H,4,6-8H2,1-3,5H3;1H2,2H3,(H,5,6)
InChIKeyNEXXPEIGYMJKMB-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.48
Rot. Bonds7

About methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid

methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid (PubChem CID 141011598) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid
PubChem CID141011598
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid
SMILESC=C(C(=O)OC)C(CC)N(CC)CC.C=C(C)C(=O)O
InChIInChI=1S/C11H21NO2.C4H6O2/c1-6-10(12(7-2)8-3)9(4)11(13)14-5;1-3(2)4(5)6/h10H,4,6-8H2,1-3,5H3;1H2,2H3,(H,5,6)
InChIKeyNEXXPEIGYMJKMB-UHFFFAOYSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
CID 174807958
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
N,N-diethylpentan-2-amine;2-methylprop-2-enoic acid
CID 161380270
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
methyl 3-hydroperoxy-2-methylidenepentanoate
CID 11019156
acetic acid;2-methylprop-2-enoic acid
CID 21426946
methyl 2-methylidenehexanoate;2-methylprop-2-enoic acid
CID 141470082
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
CID 88807806

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The IUPAC name of methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid (CID 141011598) is methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid.
What is the SMILES notation for methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The canonical SMILES for methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid is C=C(C(=O)OC)C(CC)N(CC)CC.C=C(C)C(=O)O.
What is the InChIKey of methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid?
The InChIKey is NEXXPEIGYMJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C4H6O2/c1-6-10(12(7-2)8-3)9(4)11(13)14-5;1-3(2)4(5)6/h10H,4,6-8H2,1-3,5H3;1H2,2H3,(H,5,6).
What are the key properties of methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid?
methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-2-methylidenepentanoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 141011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).