2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid

C14H19NO3 — CID 82480584

IUPAC2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c1-15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-3-5-11/h6-9,11,13,15H,2-5H2,1H3,(H,16,17)
InChIKeyYEPMLJFLCMDBDM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid

2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid (PubChem CID 82480584) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
PubChem CID82480584
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c1-15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-3-5-11/h6-9,11,13,15H,2-5H2,1H3,(H,16,17)
InChIKeyYEPMLJFLCMDBDM-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60998431
2-(4-cyclopropyloxyphenyl)pentanoic acid
CID 114520015
4-cycloheptyloxy-N-methylaniline
CID 82930112
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid (CID 82480584) is 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid?
The InChIKey is YEPMLJFLCMDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-3-5-11/h6-9,11,13,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid?
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 82480584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).