2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide

C10H12N2O5 — CID 171868640

IUPAC2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide
SMILESCc1cccc(C(O)C(O)C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-5-3-2-4-6(7(5)12(16)17)8(13)9(14)10(11)15/h2-4,8-9,13-14H,1H3,(H2,11,15)
InChIKeyVBTKZZFRDXOYBK-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.22
Rot. Bonds4

About 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide

2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide (PubChem CID 171868640) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide
PubChem CID171868640
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide
SMILESCc1cccc(C(O)C(O)C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-5-3-2-4-6(7(5)12(16)17)8(13)9(14)10(11)15/h2-4,8-9,13-14H,1H3,(H2,11,15)
InChIKeyVBTKZZFRDXOYBK-UHFFFAOYSA-N
XLogP-0.22
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-2-nitrophenyl)-4-sulfanylbutane-1,2-diol
CID 171874569
3-(methylamino)-1-(3-methyl-2-nitrophenyl)propane-1,2-diol
CID 171858418
1-(dichloromethyl)-3-methyl-2-nitrobenzene
CID 174988309
3-(4-acetyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171869098
silver 3-methyl-2-nitrobenzoate
CID 162078770
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
(3-methyl-2-nitrophenyl)methyl carbonobromidate
CID 90976440
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
ethyl 2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 74433580
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
2-hydroxy-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 3030918

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide (CID 171868640) is 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide is Cc1cccc(C(O)C(O)C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide?
The InChIKey is VBTKZZFRDXOYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-3-2-4-6(7(5)12(16)17)8(13)9(14)10(11)15/h2-4,8-9,13-14H,1H3,(H2,11,15).
What are the key properties of 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide?
2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide has a molecular weight of 240.22 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide is sourced from PubChem (CID 171868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).