2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid

C15H21NO4 — CID 117447876

IUPAC2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
SMILESCC1(C)CCC(Oc2cc(C(N)C(=O)O)ccc2O)C1
InChIInChI=1S/C15H21NO4/c1-15(2)6-5-10(8-15)20-12-7-9(3-4-11(12)17)13(16)14(18)19/h3-4,7,10,13,17H,5-6,8,16H2,1-2H3,(H,18,19)
InChIKeyRREHGBBYSDNAEH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid

2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid (PubChem CID 117447876) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
PubChem CID117447876
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
SMILESCC1(C)CCC(Oc2cc(C(N)C(=O)O)ccc2O)C1
InChIInChI=1S/C15H21NO4/c1-15(2)6-5-10(8-15)20-12-7-9(3-4-11(12)17)13(16)14(18)19/h3-4,7,10,13,17H,5-6,8,16H2,1-2H3,(H,18,19)
InChIKeyRREHGBBYSDNAEH-UHFFFAOYSA-N
XLogP2.43
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 117377486
2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
CID 117345058
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
CID 117408120
4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 136966419
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
CID 70901489
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid (CID 117447876) is 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid is CC1(C)CCC(Oc2cc(C(N)C(=O)O)ccc2O)C1.
What is the InChIKey of 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid?
The InChIKey is RREHGBBYSDNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)6-5-10(8-15)20-12-7-9(3-4-11(12)17)13(16)14(18)19/h3-4,7,10,13,17H,5-6,8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid?
2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid is sourced from PubChem (CID 117447876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).