(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid

C14H25NO2 — CID 19598978

IUPAC(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/b10-7+
InChIKeyUIZWPVOGWBRBLX-JXMROGBWSA-N
MW239.36 g/mol
LogP2.92
Rot. Bonds2

About (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid

(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid (PubChem CID 19598978) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid
PubChem CID19598978
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid
SMILESC/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/b10-7+
InChIKeyUIZWPVOGWBRBLX-JXMROGBWSA-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)-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-(1-Butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid
CID 22755866
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
3-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoic acid
CID 53672017

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid (CID 19598978) is (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid is C/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid?
The InChIKey is UIZWPVOGWBRBLX-JXMROGBWSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/b10-7+.
What are the key properties of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid?
(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-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 (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoic acid is sourced from PubChem (CID 19598978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).