2-phenoxyethyl 2-(methylamino)propanoate

C12H17NO3 — CID 62638181

IUPAC2-phenoxyethyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCCOc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(13-2)12(14)16-9-8-15-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyJRWQUXHCNGOFSC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.22
Rot. Bonds6

About 2-phenoxyethyl 2-(methylamino)propanoate

2-phenoxyethyl 2-(methylamino)propanoate (PubChem CID 62638181) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(methylamino)propanoate
PubChem CID62638181
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-phenoxyethyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OCCOc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(13-2)12(14)16-9-8-15-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyJRWQUXHCNGOFSC-UHFFFAOYSA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.22
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

2-phenoxyethyl 2-aminopropanoate
CID 61301873
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
2-(2-phenoxyethoxy)propanehydrazide
CID 63586818
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
2-phenoxyethyl 2-aminoacetate
CID 61302270
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(methylamino)propanoate?
The IUPAC name of 2-phenoxyethyl 2-(methylamino)propanoate (CID 62638181) is 2-phenoxyethyl 2-(methylamino)propanoate.
What is the SMILES notation for 2-phenoxyethyl 2-(methylamino)propanoate?
The canonical SMILES for 2-phenoxyethyl 2-(methylamino)propanoate is CNC(C)C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-(methylamino)propanoate?
The InChIKey is JRWQUXHCNGOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(13-2)12(14)16-9-8-15-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 2-phenoxyethyl 2-(methylamino)propanoate?
2-phenoxyethyl 2-(methylamino)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(methylamino)propanoate is sourced from PubChem (CID 62638181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).