5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H21NO5 — CID 120687007

IUPAC5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOC1(CC(=O)N(C)Cc2cc(C(=O)O)c(C)o2)CCC1
InChIInChI=1S/C15H21NO5/c1-10-12(14(18)19)7-11(21-10)9-16(2)13(17)8-15(20-3)5-4-6-15/h7H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPLKQYHUGIDIEEK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.20
Rot. Bonds6

About 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120687007) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120687007
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOC1(CC(=O)N(C)Cc2cc(C(=O)O)c(C)o2)CCC1
InChIInChI=1S/C15H21NO5/c1-10-12(14(18)19)7-11(21-10)9-16(2)13(17)8-15(20-3)5-4-6-15/h7H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPLKQYHUGIDIEEK-UHFFFAOYSA-N
XLogP2.20
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
5-[[3-(2-methoxyethoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222528
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
5-[[4-ethoxybutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222513
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
5-[[[2-(butanoylamino)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222497
2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125151720

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 120687007) is 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is COC1(CC(=O)N(C)Cc2cc(C(=O)O)c(C)o2)CCC1.
What is the InChIKey of 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is PLKQYHUGIDIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-12(14(18)19)7-11(21-10)9-16(2)13(17)8-15(20-3)5-4-6-15/h7H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120687007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).