5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid

C15H17NO4 — CID 65339367

IUPAC5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN(C)Cc2ccoc2)cc1C(=O)O
InChIInChI=1S/C15H17NO4/c1-16(9-12-5-6-20-10-12)8-11-3-4-14(19-2)13(7-11)15(17)18/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyXLSKVXDXRZPWEQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.62
Rot. Bonds6

About 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid

5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid (PubChem CID 65339367) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
PubChem CID65339367
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN(C)Cc2ccoc2)cc1C(=O)O
InChIInChI=1S/C15H17NO4/c1-16(9-12-5-6-20-10-12)8-11-3-4-14(19-2)13(7-11)15(17)18/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyXLSKVXDXRZPWEQ-UHFFFAOYSA-N
XLogP2.62
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675
2-methoxy-5-[[methyl(2-methylbutan-2-yl)amino]methyl]benzoic acid
CID 65339608
2-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 65339124
5-[[3-(dimethylamino)propyl-ethylamino]methyl]-2-methoxybenzoic acid
CID 102998109
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 65339601
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72893158
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
CID 122561799
5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 91796661
2-methoxy-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106793477

Frequently Asked Questions

What is the IUPAC name of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid (CID 65339367) is 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid is COc1ccc(CN(C)Cc2ccoc2)cc1C(=O)O.
What is the InChIKey of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
The InChIKey is XLSKVXDXRZPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-16(9-12-5-6-20-10-12)8-11-3-4-14(19-2)13(7-11)15(17)18/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid?
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 65339367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).