cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate

C21H34N2O5 — CID 68972248

IUPACcyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate
SMILESCOc1cc(N)cc(OC)c1OCCN[C@H](CC(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C21H34N2O5/c1-14(2)11-17(21(24)28-16-7-5-6-8-16)23-9-10-27-20-18(25-3)12-15(22)13-19(20)26-4/h12-14,16-17,23H,5-11,22H2,1-4H3/t17-/m1/s1
InChIKeyYGRXYBRWABOSSC-QGZVFWFLSA-N
MW394.51 g/mol
LogP3.15
Rot. Bonds11

About cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate

cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate (PubChem CID 68972248) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate
PubChem CID68972248
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Namecyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate
SMILESCOc1cc(N)cc(OC)c1OCCN[C@H](CC(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C21H34N2O5/c1-14(2)11-17(21(24)28-16-7-5-6-8-16)23-9-10-27-20-18(25-3)12-15(22)13-19(20)26-4/h12-14,16-17,23H,5-11,22H2,1-4H3/t17-/m1/s1
InChIKeyYGRXYBRWABOSSC-QGZVFWFLSA-N
XLogP3.15
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate (CID 68972248) is cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate is COc1cc(N)cc(OC)c1OCCN[C@H](CC(C)C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate?
The InChIKey is YGRXYBRWABOSSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-14(2)11-17(21(24)28-16-7-5-6-8-16)23-9-10-27-20-18(25-3)12-15(22)13-19(20)26-4/h12-14,16-17,23H,5-11,22H2,1-4H3/t17-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate?
cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate has a molecular weight of 394.51 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-[2-(4-amino-2,6-dimethoxyphenoxy)ethylamino]-4-methylpentanoate is sourced from PubChem (CID 68972248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).