2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid

C13H17NO2 — CID 155349476

IUPAC2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid
SMILESC=C/C=C1/C=CC(C(C)(C)C(=O)O)=CN1C
InChIInChI=1S/C13H17NO2/c1-5-6-11-8-7-10(9-14(11)4)13(2,3)12(15)16/h5-9H,1H2,2-4H3,(H,15,16)/b11-6-
InChIKeyWFLDEGZOLZTHIB-WDZFZDKYSA-N
MW219.28 g/mol
LogP2.55
Rot. Bonds3

About 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid

2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid (PubChem CID 155349476) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid
PubChem CID155349476
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid
SMILESC=C/C=C1/C=CC(C(C)(C)C(=O)O)=CN1C
InChIInChI=1S/C13H17NO2/c1-5-6-11-8-7-10(9-14(11)4)13(2,3)12(15)16/h5-9H,1H2,2-4H3,(H,15,16)/b11-6-
InChIKeyWFLDEGZOLZTHIB-WDZFZDKYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4H-quinolizin-2-yl)acetic acid
CID 21684378
4-(Dimethylamino)-1-ethylcyclohexa-2,4-diene-1-carboxylic acid
CID 89807572
2-Methyl-2-(1-methyl-6-oxo-3-pyridinyl)propanoic acid
CID 105448839
2-(1-ethyl-2H-pyridin-4-yl)acetic acid
CID 117736792
2-[4-(Dimethylamino)-3-methylcyclohexa-1,5-dien-1-yl]acetic acid
CID 130242596
2-(4H-quinolizin-1-yl)acetic acid
CID 150482224
2-(Dimethylamino)-1,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 150836695
6-(Dimethylaminomethylidene)cyclohexa-2,4-diene-1-carboxylic acid
CID 153893987
2-(4H-quinolizin-1-yl)propanoic acid
CID 153894200
4-(Dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 155067240
2-[(6Z)-6-ethylidene-1H-pyridin-3-yl]-2-methylpropanoic acid;methanimine
CID 155727320
methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate
CID 155727655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid?
The IUPAC name of 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid (CID 155349476) is 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid is C=C/C=C1/C=CC(C(C)(C)C(=O)O)=CN1C.
What is the InChIKey of 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid?
The InChIKey is WFLDEGZOLZTHIB-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-6-11-8-7-10(9-14(11)4)13(2,3)12(15)16/h5-9H,1H2,2-4H3,(H,15,16)/b11-6-.
What are the key properties of 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid?
2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]propanoic acid is sourced from PubChem (CID 155349476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).