3-(3-amino-5-nitroanilino)-2-hydroxypropanamide

C9H12N4O4 — CID 106178890

IUPAC3-(3-amino-5-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(N)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N4O4/c10-5-1-6(3-7(2-5)13(16)17)12-4-8(14)9(11)15/h1-3,8,12,14H,4,10H2,(H2,11,15)
InChIKeyGOQYXSHXUAXMSR-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.56
Rot. Bonds5

About 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide

3-(3-amino-5-nitroanilino)-2-hydroxypropanamide (PubChem CID 106178890) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(3-amino-5-nitroanilino)-2-hydroxypropanamide
PubChem CID106178890
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name3-(3-amino-5-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(N)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N4O4/c10-5-1-6(3-7(2-5)13(16)17)12-4-8(14)9(11)15/h1-3,8,12,14H,4,10H2,(H2,11,15)
InChIKeyGOQYXSHXUAXMSR-UHFFFAOYSA-N
XLogP-0.56
TPSA144.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-5-nitroanilino)-3-methylbutan-1-ol
CID 80851148
3-(3-amino-5-nitroanilino)propan-1-ol
CID 80772379
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
3-(3-amino-5-nitroanilino)-N-methylpropanamide
CID 80819210
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
2-[(3-amino-5-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 106258424
3-N-butyl-5-nitrobenzene-1,3-diamine
CID 80785572
5-nitro-3-N-(2,2,3,3-tetrafluoropropyl)benzene-1,3-diamine
CID 114169910
ethyl 3-(3-amino-5-nitroanilino)propanoate
CID 80817127
3-N-[2-[methyl(propan-2-yl)amino]ethyl]-5-nitrobenzene-1,3-diamine
CID 80832234
[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
CID 106368183
3-N-[(4-chlorophenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80765251

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide (CID 106178890) is 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(N)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide?
The InChIKey is GOQYXSHXUAXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-5-1-6(3-7(2-5)13(16)17)12-4-8(14)9(11)15/h1-3,8,12,14H,4,10H2,(H2,11,15).
What are the key properties of 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide?
3-(3-amino-5-nitroanilino)-2-hydroxypropanamide has a molecular weight of 240.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-nitroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106178890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).