2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid

C15H21NO4 — CID 102535746

IUPAC2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(CNC2CCCC2)c1OCC(=O)O
InChIInChI=1S/C15H21NO4/c1-19-13-8-4-5-11(15(13)20-10-14(17)18)9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyBGJPQONIVKAQBY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds7

About 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid

2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid (PubChem CID 102535746) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
PubChem CID102535746
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cccc(CNC2CCCC2)c1OCC(=O)O
InChIInChI=1S/C15H21NO4/c1-19-13-8-4-5-11(15(13)20-10-14(17)18)9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyBGJPQONIVKAQBY-UHFFFAOYSA-N
XLogP2.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053366
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid (CID 102535746) is 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid is COc1cccc(CNC2CCCC2)c1OCC(=O)O.
What is the InChIKey of 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid?
The InChIKey is BGJPQONIVKAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-13-8-4-5-11(15(13)20-10-14(17)18)9-16-12-6-2-3-7-12/h4-5,8,12,16H,2-3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid?
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 102535746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).