4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid

C15H21NO3 — CID 65212652

IUPAC4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H21NO3/c1-16(11-15(19)8-2-3-9-15)10-12-4-6-13(7-5-12)14(17)18/h4-7,19H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyHYVPGUYRQSWWPN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds5

About 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid

4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid (PubChem CID 65212652) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
PubChem CID65212652
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)CC1(O)CCCC1
InChIInChI=1S/C15H21NO3/c1-16(11-15(19)8-2-3-9-15)10-12-4-6-13(7-5-12)14(17)18/h4-7,19H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyHYVPGUYRQSWWPN-UHFFFAOYSA-N
XLogP2.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
methyl 3-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoate
CID 115758676
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
4-[[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]methyl]benzoic acid
CID 54886018
4-[[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzoic acid
CID 60977939
1-[[[6-(ethylamino)-3-pyridinyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953204
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[ethyl(methyl)amino]methyl]benzoic acid;hydrochloride
CID 70353921
4-[[3-fluoropropyl(methyl)amino]methyl]benzoic acid
CID 81113392

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid (CID 65212652) is 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)CC1(O)CCCC1.
What is the InChIKey of 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid?
The InChIKey is HYVPGUYRQSWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-15(19)8-2-3-9-15)10-12-4-6-13(7-5-12)14(17)18/h4-7,19H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid?
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid is sourced from PubChem (CID 65212652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).