2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate

C20H24N2O6 — CID 124562471

IUPAC2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N)cc1
InChIInChI=1S/C20H24N2O6/c1-13(27-17-7-3-15(21)4-8-17)19(23)25-11-12-26-20(24)14(2)28-18-9-5-16(22)6-10-18/h3-10,13-14H,11-12,21-22H2,1-2H3/t13-,14-/m1/s1
InChIKeyIYYAIMHNNHKAFQ-ZIAGYGMSSA-N
MW388.42 g/mol
LogP2.17
Rot. Bonds9

About 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate

2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate (PubChem CID 124562471) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
PubChem CID124562471
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N)cc1
InChIInChI=1S/C20H24N2O6/c1-13(27-17-7-3-15(21)4-8-17)19(23)25-11-12-26-20(24)14(2)28-18-9-5-16(22)6-10-18/h3-10,13-14H,11-12,21-22H2,1-2H3/t13-,14-/m1/s1
InChIKeyIYYAIMHNNHKAFQ-ZIAGYGMSSA-N
XLogP2.17
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
2-iodoethyl 2-phenoxypropanoate
CID 21411128
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325090
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
CID 59993707
CID 59993707
2-(4-chlorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977951

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate?
The IUPAC name of 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate (CID 124562471) is 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate.
What is the SMILES notation for 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate?
The canonical SMILES for 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate is C[C@@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N)cc1.
What is the InChIKey of 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate?
The InChIKey is IYYAIMHNNHKAFQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-13(27-17-7-3-15(21)4-8-17)19(23)25-11-12-26-20(24)14(2)28-18-9-5-16(22)6-10-18/h3-10,13-14H,11-12,21-22H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate?
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate has a molecular weight of 388.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate is sourced from PubChem (CID 124562471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).