2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone

C10H12N2O4 — CID 170860296

IUPAC2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
SMILESNCC(=O)c1cc(C(=O)CN)c(O)cc1O
InChIInChI=1S/C10H12N2O4/c11-3-9(15)5-1-6(10(16)4-12)8(14)2-7(5)13/h1-2,13-14H,3-4,11-12H2
InChIKeyXMRITORSBYLUFW-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.62
Rot. Bonds4

About 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone

2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone (PubChem CID 170860296) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
PubChem CID170860296
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
SMILESNCC(=O)c1cc(C(=O)CN)c(O)cc1O
InChIInChI=1S/C10H12N2O4/c11-3-9(15)5-1-6(10(16)4-12)8(14)2-7(5)13/h1-2,13-14H,3-4,11-12H2
InChIKeyXMRITORSBYLUFW-UHFFFAOYSA-N
XLogP-0.62
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride
CID 175674600
2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
CID 83711359
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
CID 117306698
2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
CID 170860723
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
CID 67247191
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
CID 117316656

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone?
The IUPAC name of 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone (CID 170860296) is 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone.
What is the SMILES notation for 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone?
The canonical SMILES for 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone is NCC(=O)c1cc(C(=O)CN)c(O)cc1O.
What is the InChIKey of 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone?
The InChIKey is XMRITORSBYLUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-3-9(15)5-1-6(10(16)4-12)8(14)2-7(5)13/h1-2,13-14H,3-4,11-12H2.
What are the key properties of 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone?
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone has a molecular weight of 224.22 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone is sourced from PubChem (CID 170860296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).