2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid

C13H19NO5 — CID 43753940

IUPAC2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCCNC(C(=O)O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H19NO5/c1-5-14-12(13(15)16)8-6-10(18-3)11(19-4)7-9(8)17-2/h6-7,12,14H,5H2,1-4H3,(H,15,16)
InChIKeyCJWKIGGNJGJRSD-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.45
Rot. Bonds7

About 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid

2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid (PubChem CID 43753940) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
PubChem CID43753940
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCCNC(C(=O)O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H19NO5/c1-5-14-12(13(15)16)8-6-10(18-3)11(19-4)7-9(8)17-2/h6-7,12,14H,5H2,1-4H3,(H,15,16)
InChIKeyCJWKIGGNJGJRSD-UHFFFAOYSA-N
XLogP1.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
CID 60785844
2-(2-methylpropylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61001564
2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61002329
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
CID 43753884
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
2-(2-bromo-4,5-dimethoxyphenyl)-2-(butan-2-ylamino)acetic acid
CID 61024269
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
2-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60997863

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid (CID 43753940) is 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid is CCNC(C(=O)O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is CJWKIGGNJGJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-5-14-12(13(15)16)8-6-10(18-3)11(19-4)7-9(8)17-2/h6-7,12,14H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 269.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 43753940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).