2,3-dihydroxy-3-(4-methylphenyl)propanamide

C10H13NO3 — CID 171867589

IUPAC2,3-dihydroxy-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(O)C(O)C(N)=O)cc1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(12)9(13)10(11)14/h2-5,8-9,12-13H,1H3,(H2,11,14)
InChIKeyDUISXYQUEBKALT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.13
Rot. Bonds3

About 2,3-dihydroxy-3-(4-methylphenyl)propanamide

2,3-dihydroxy-3-(4-methylphenyl)propanamide (PubChem CID 171867589) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-methylphenyl)propanamide
PubChem CID171867589
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2,3-dihydroxy-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(O)C(O)C(N)=O)cc1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(12)9(13)10(11)14/h2-5,8-9,12-13H,1H3,(H2,11,14)
InChIKeyDUISXYQUEBKALT-UHFFFAOYSA-N
XLogP-0.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
CID 171869028
3-[4-(2-chloroacetyl)phenyl]-2,3-dihydroxypropanamide
CID 171868481
2,3-dihydroxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 171869200
4-[4-(3-amino-1,2-dihydroxy-3-oxopropyl)phenyl]-4-oxobutanoic acid
CID 171869115
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 67807121
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
amino-(4-methylphenyl)methanol
CID 70304176
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-methylphenyl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-methylphenyl)propanamide (CID 171867589) is 2,3-dihydroxy-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-methylphenyl)propanamide is Cc1ccc(C(O)C(O)C(N)=O)cc1.
What is the InChIKey of 2,3-dihydroxy-3-(4-methylphenyl)propanamide?
The InChIKey is DUISXYQUEBKALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(12)9(13)10(11)14/h2-5,8-9,12-13H,1H3,(H2,11,14).
What are the key properties of 2,3-dihydroxy-3-(4-methylphenyl)propanamide?
2,3-dihydroxy-3-(4-methylphenyl)propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 171867589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).