2-aminoethyl 2-phenoxypropanoate;hydrochloride

C11H16ClNO3 — CID 174429606

IUPAC2-aminoethyl 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OCCN.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-9(11(13)14-8-7-12)15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3;1H
InChIKeyOCYMMLANOKQMPB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.38
Rot. Bonds5

About 2-aminoethyl 2-phenoxypropanoate;hydrochloride

2-aminoethyl 2-phenoxypropanoate;hydrochloride (PubChem CID 174429606) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-aminoethyl 2-phenoxypropanoate;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl 2-phenoxypropanoate;hydrochloride
PubChem CID174429606
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-aminoethyl 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OCCN.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-9(11(13)14-8-7-12)15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3;1H
InChIKeyOCYMMLANOKQMPB-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
2-iodoethyl 2-phenoxypropanoate
CID 21411128
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833703
2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
CID 174297430
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-phenoxypropanoate;hydrochloride?
The IUPAC name of 2-aminoethyl 2-phenoxypropanoate;hydrochloride (CID 174429606) is 2-aminoethyl 2-phenoxypropanoate;hydrochloride.
What is the SMILES notation for 2-aminoethyl 2-phenoxypropanoate;hydrochloride?
The canonical SMILES for 2-aminoethyl 2-phenoxypropanoate;hydrochloride is CC(Oc1ccccc1)C(=O)OCCN.Cl.
What is the InChIKey of 2-aminoethyl 2-phenoxypropanoate;hydrochloride?
The InChIKey is OCYMMLANOKQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-9(11(13)14-8-7-12)15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3;1H.
What are the key properties of 2-aminoethyl 2-phenoxypropanoate;hydrochloride?
2-aminoethyl 2-phenoxypropanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-phenoxypropanoate;hydrochloride is sourced from PubChem (CID 174429606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).