2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid

C14H25NO2 — CID 54018970

IUPAC2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid
SMILESCC(=CC1CCC(C)(C)N(C)C1(C)C)C(=O)O
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)9-11-7-8-13(2,3)15(6)14(11,4)5/h9,11H,7-8H2,1-6H3,(H,16,17)
InChIKeyKXOYNWNPNKWQKB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid

2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid (PubChem CID 54018970) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid
PubChem CID54018970
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid
SMILESCC(=CC1CCC(C)(C)N(C)C1(C)C)C(=O)O
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)9-11-7-8-13(2,3)15(6)14(11,4)5/h9,11H,7-8H2,1-6H3,(H,16,17)
InChIKeyKXOYNWNPNKWQKB-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylprop-2-enoic acid
CID 139341809
(E)-3-(1-tert-butyl-5-fluoro-5-methylpiperidin-3-yl)-2-methylprop-2-enoic acid
CID 157227583
(E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
CID 18358639
(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid
CID 19598978
(E)-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid
CID 21653816
2-(2,2,6,6-Tetramethyl-1-octadecylpiperidin-4-ylidene)acetic acid
CID 22755851
2-(1,2,2,6,6-Pentamethylpiperidin-4-ylidene)pent-4-enoic acid
CID 22755853
2-(1,2,2,6,6-Pentamethylpiperidin-4-ylidene)butanoic acid
CID 22755856
2-(2,2,6,6-Tetramethyl-1-octylpiperidin-4-ylidene)acetic acid
CID 22755900
2-(1,2,2,6,6-Pentamethylpiperidin-4-ylidene)acetic acid
CID 22755911
(E)-4-(dimethylamino)-4-ethyl-2,5-dimethylhept-2-enoic acid
CID 23174822
2-(1-Butyl-2,2-dimethyl-6,6-dipropylpiperidin-4-ylidene)acetic acid
CID 53850991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid (CID 54018970) is 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid is CC(=CC1CCC(C)(C)N(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid?
The InChIKey is KXOYNWNPNKWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(12(16)17)9-11-7-8-13(2,3)15(6)14(11,4)5/h9,11H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid?
2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 54018970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).