3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide

C11H16N2O3 — CID 171868212

IUPAC3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
SMILESCc1cc(C)c(N)c(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-5-3-6(2)8(12)7(4-5)9(14)10(15)11(13)16/h3-4,9-10,14-15H,12H2,1-2H3,(H2,13,16)
InChIKeyZRVBPSVYFBYFPP-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.23
Rot. Bonds3

About 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide

3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868212) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
PubChem CID171868212
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
SMILESCc1cc(C)c(N)c(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-5-3-6(2)8(12)7(4-5)9(14)10(15)11(13)16/h3-4,9-10,14-15H,12H2,1-2H3,(H2,13,16)
InChIKeyZRVBPSVYFBYFPP-UHFFFAOYSA-N
XLogP-0.23
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171866152
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
4-amino-1-(2-amino-3,5-dimethylphenyl)butane-1,2-diol
CID 171881305
1-(2-amino-3,5-dimethylphenyl)-4-chlorobutane-1,2-diol
CID 171893848
1-(2-amino-3,5-dimethylphenyl)-4-bromobutane-1,2-diol
CID 171892057
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
2-(2-amino-3,5-dimethylphenyl)-4,4-dimethylpentanoic acid
CID 106987402
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
CID 171481741
2-(2-amino-3,5-dimethylphenyl)-3-ethyl-4-methylpentanoic acid
CID 106987601
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide (CID 171868212) is 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide is Cc1cc(C)c(N)c(C(O)C(O)C(N)=O)c1.
What is the InChIKey of 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide?
The InChIKey is ZRVBPSVYFBYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-3-6(2)8(12)7(4-5)9(14)10(15)11(13)16/h3-4,9-10,14-15H,12H2,1-2H3,(H2,13,16).
What are the key properties of 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide?
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide has a molecular weight of 224.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).