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

C14H21NO4 — CID 114950163

IUPAC5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)CC2(O)CCCC2)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-12(13(16)17)7-11(19-10)8-15(2)9-14(18)5-3-4-6-14/h7,18H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyMTVRXOBEXTYEJZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.02
Rot. Bonds5

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

5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 114950163) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID114950163
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)CC2(O)CCCC2)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-12(13(16)17)7-11(19-10)8-15(2)9-14(18)5-3-4-6-14/h7,18H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyMTVRXOBEXTYEJZ-UHFFFAOYSA-N
XLogP2.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 79386693
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 63713788
5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687007
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910464
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 55261157
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 114950163) is 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)CC2(O)CCCC2)cc1C(=O)O.
What is the InChIKey of 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is MTVRXOBEXTYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-12(13(16)17)7-11(19-10)8-15(2)9-14(18)5-3-4-6-14/h7,18H,3-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 114950163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).