ethyl 2-(2-amino-5-methoxyphenyl)propanoate

C12H17NO3 — CID 106987688

IUPACethyl 2-(2-amino-5-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(OC)ccc1N
InChIInChI=1S/C12H17NO3/c1-4-16-12(14)8(2)10-7-9(15-3)5-6-11(10)13/h5-8H,4,13H2,1-3H3
InChIKeyAESVXTOJJDSAMY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-(2-amino-5-methoxyphenyl)propanoate

ethyl 2-(2-amino-5-methoxyphenyl)propanoate (PubChem CID 106987688) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-methoxyphenyl)propanoate
PubChem CID106987688
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-(2-amino-5-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(OC)ccc1N
InChIInChI=1S/C12H17NO3/c1-4-16-12(14)8(2)10-7-9(15-3)5-6-11(10)13/h5-8H,4,13H2,1-3H3
InChIKeyAESVXTOJJDSAMY-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
diethyl 2-(2-iodo-5-methoxyphenyl)propanedioate
CID 138974831
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate;hydrochloride
CID 171244245
ethyl 2-(2-amino-5-methoxyphenyl)sulfanylbutanoate
CID 79511079
2-(2-amino-5-methoxyphenyl)octanoic acid
CID 106987315
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(2-amino-5-methoxyphenyl)propanoate (CID 106987688) is ethyl 2-(2-amino-5-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(2-amino-5-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(2-amino-5-methoxyphenyl)propanoate is CCOC(=O)C(C)c1cc(OC)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-methoxyphenyl)propanoate?
The InChIKey is AESVXTOJJDSAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-16-12(14)8(2)10-7-9(15-3)5-6-11(10)13/h5-8H,4,13H2,1-3H3.
What are the key properties of ethyl 2-(2-amino-5-methoxyphenyl)propanoate?
ethyl 2-(2-amino-5-methoxyphenyl)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-methoxyphenyl)propanoate is sourced from PubChem (CID 106987688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).