2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid

C16H23NO2 — CID 107418280

IUPAC2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
SMILESCC1CCCC1CNCc1ccccc1CC(=O)O
InChIInChI=1S/C16H23NO2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16(18)19/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyJWVNAEZFAUCOII-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid

2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid (PubChem CID 107418280) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
PubChem CID107418280
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
SMILESCC1CCCC1CNCc1ccccc1CC(=O)O
InChIInChI=1S/C16H23NO2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16(18)19/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyJWVNAEZFAUCOII-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
CID 107453491
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
1-(2-methylcyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 107416963
N-[(2-methylcyclopentyl)methyl]-2,2-diphenylacetamide
CID 167190715
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid (CID 107418280) is 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid is CC1CCCC1CNCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is JWVNAEZFAUCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16(18)19/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid?
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 107418280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).