2-phenoxyethyl 2-aminoacetate

C10H13NO3 — CID 61302270

IUPAC2-phenoxyethyl 2-aminoacetate
SMILESNCC(=O)OCCOc1ccccc1
InChIInChI=1S/C10H13NO3/c11-8-10(12)14-7-6-13-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyURJJFIIQNAMENT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds5

About 2-phenoxyethyl 2-aminoacetate

2-phenoxyethyl 2-aminoacetate (PubChem CID 61302270) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-phenoxyethyl 2-aminoacetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-aminoacetate
PubChem CID61302270
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-phenoxyethyl 2-aminoacetate
SMILESNCC(=O)OCCOc1ccccc1
InChIInChI=1S/C10H13NO3/c11-8-10(12)14-7-6-13-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyURJJFIIQNAMENT-UHFFFAOYSA-N
XLogP0.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-phenoxyethyl 2-aminopropanoate
CID 61301873
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-phenoxyethyl 2-oxobutanoate
CID 71400908
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
2-phenoxyethyl undecanoate
CID 54508523
2-(4-phenoxyphenoxy)ethyl but-3-enoate
CID 54166268
2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
2-phenoxyethylmercury
CID 163598363
2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate
CID 158754091

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-aminoacetate?
The IUPAC name of 2-phenoxyethyl 2-aminoacetate (CID 61302270) is 2-phenoxyethyl 2-aminoacetate.
What is the SMILES notation for 2-phenoxyethyl 2-aminoacetate?
The canonical SMILES for 2-phenoxyethyl 2-aminoacetate is NCC(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-aminoacetate?
The InChIKey is URJJFIIQNAMENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8-10(12)14-7-6-13-9-4-2-1-3-5-9/h1-5H,6-8,11H2.
What are the key properties of 2-phenoxyethyl 2-aminoacetate?
2-phenoxyethyl 2-aminoacetate has a molecular weight of 195.22 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-aminoacetate is sourced from PubChem (CID 61302270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).