3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid

C14H19NO3 — CID 103248532

IUPAC3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
SMILESCOC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-13-7-3-6-12(13)15-9-10-4-2-5-11(8-10)14(16)17/h2,4-5,8,12-13,15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyWXDXLMIJUWQNKQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid

3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid (PubChem CID 103248532) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
PubChem CID103248532
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
SMILESCOC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-13-7-3-6-12(13)15-9-10-4-2-5-11(8-10)14(16)17/h2,4-5,8,12-13,15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyWXDXLMIJUWQNKQ-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248527
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248534
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
CID 122016522

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid (CID 103248532) is 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid is COC1CCCC1NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid?
The InChIKey is WXDXLMIJUWQNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-7-3-6-12(13)15-9-10-4-2-5-11(8-10)14(16)17/h2,4-5,8,12-13,15H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid?
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid is sourced from PubChem (CID 103248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).