cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate

C14H19NO4 — CID 106930461

IUPACcyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OCOCC1CC1
InChIInChI=1S/C14H19NO4/c15-12-3-1-2-4-13(12)18-8-7-14(16)19-10-17-9-11-5-6-11/h1-4,11H,5-10,15H2
InChIKeyNYOLJSFUJXBTTE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.97
Rot. Bonds8

About cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate

cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate (PubChem CID 106930461) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Namecyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
PubChem CID106930461
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namecyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OCOCC1CC1
InChIInChI=1S/C14H19NO4/c15-12-3-1-2-4-13(12)18-8-7-14(16)19-10-17-9-11-5-6-11/h1-4,11H,5-10,15H2
InChIKeyNYOLJSFUJXBTTE-UHFFFAOYSA-N
XLogP1.97
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopropylmethoxy)ethoxy]aniline
CID 43366102
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
3-(2-aminophenoxy)propanamide
CID 39869131
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate?
The IUPAC name of cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate (CID 106930461) is cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate?
The canonical SMILES for cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate is Nc1ccccc1OCCC(=O)OCOCC1CC1.
What is the InChIKey of cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate?
The InChIKey is NYOLJSFUJXBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-12-3-1-2-4-13(12)18-8-7-14(16)19-10-17-9-11-5-6-11/h1-4,11H,5-10,15H2.
What are the key properties of cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate?
cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 106930461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).