1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid

C13H17NO3 — CID 66024192

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cnc(CC2(C(=O)O)CC2)c1C
InChIInChI=1S/C13H17NO3/c1-8-7-14-10(9(2)11(8)17-3)6-13(4-5-13)12(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyXEXVPDJAJFWCPO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.11
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 66024192) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID66024192
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cnc(CC2(C(=O)O)CC2)c1C
InChIInChI=1S/C13H17NO3/c1-8-7-14-10(9(2)11(8)17-3)6-13(4-5-13)12(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyXEXVPDJAJFWCPO-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxylic acid
CID 78991972
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324759
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145771
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
CID 65194645
6-bromo-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-3-one
CID 106798917
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
CID 65376799
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79913158
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4,4-dimethylthian-3-ol
CID 79955729

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid (CID 66024192) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid is COc1c(C)cnc(CC2(C(=O)O)CC2)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XEXVPDJAJFWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-7-14-10(9(2)11(8)17-3)6-13(4-5-13)12(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66024192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).