3-amino-4-(2,3-dihydroxypropylamino)benzamide

C10H15N3O3 — CID 66176345

IUPAC3-amino-4-(2,3-dihydroxypropylamino)benzamide
SMILESNC(=O)c1ccc(NCC(O)CO)c(N)c1
InChIInChI=1S/C10H15N3O3/c11-8-3-6(10(12)16)1-2-9(8)13-4-7(15)5-14/h1-3,7,13-15H,4-5,11H2,(H2,12,16)
InChIKeyZDDFZJAAWMSFAY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.87
Rot. Bonds5

About 3-amino-4-(2,3-dihydroxypropylamino)benzamide

3-amino-4-(2,3-dihydroxypropylamino)benzamide (PubChem CID 66176345) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-4-(2,3-dihydroxypropylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,3-dihydroxypropylamino)benzamide
PubChem CID66176345
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-amino-4-(2,3-dihydroxypropylamino)benzamide
SMILESNC(=O)c1ccc(NCC(O)CO)c(N)c1
InChIInChI=1S/C10H15N3O3/c11-8-3-6(10(12)16)1-2-9(8)13-4-7(15)5-14/h1-3,7,13-15H,4-5,11H2,(H2,12,16)
InChIKeyZDDFZJAAWMSFAY-UHFFFAOYSA-N
XLogP-0.87
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745
3-amino-4-[2-(3-hydroxypropylsulfanyl)ethylamino]benzamide
CID 106309090
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-[4-amino-2-(2,4-diaminophenyl)anilino]propane-1,2-diol
CID 18371380
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3-dihydroxypropylamino)benzamide?
The IUPAC name of 3-amino-4-(2,3-dihydroxypropylamino)benzamide (CID 66176345) is 3-amino-4-(2,3-dihydroxypropylamino)benzamide.
What is the SMILES notation for 3-amino-4-(2,3-dihydroxypropylamino)benzamide?
The canonical SMILES for 3-amino-4-(2,3-dihydroxypropylamino)benzamide is NC(=O)c1ccc(NCC(O)CO)c(N)c1.
What is the InChIKey of 3-amino-4-(2,3-dihydroxypropylamino)benzamide?
The InChIKey is ZDDFZJAAWMSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8-3-6(10(12)16)1-2-9(8)13-4-7(15)5-14/h1-3,7,13-15H,4-5,11H2,(H2,12,16).
What are the key properties of 3-amino-4-(2,3-dihydroxypropylamino)benzamide?
3-amino-4-(2,3-dihydroxypropylamino)benzamide has a molecular weight of 225.25 g/mol, XLogP of -0.87, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3-dihydroxypropylamino)benzamide is sourced from PubChem (CID 66176345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).