2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide

C11H17N3O4 — CID 170828917

IUPAC2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide
SMILESCOc1ccc(C(O)C(O)CN)c(C(=O)NN)c1
InChIInChI=1S/C11H17N3O4/c1-18-6-2-3-7(10(16)9(15)5-12)8(4-6)11(17)14-13/h2-4,9-10,15-16H,5,12-13H2,1H3,(H,14,17)
InChIKeyWJLAGUIDVUNANS-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.35
Rot. Bonds5

About 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide

2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide (PubChem CID 170828917) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide.

Molecular Properties

Compound Name2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide
PubChem CID170828917
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide
SMILESCOc1ccc(C(O)C(O)CN)c(C(=O)NN)c1
InChIInChI=1S/C11H17N3O4/c1-18-6-2-3-7(10(16)9(15)5-12)8(4-6)11(17)14-13/h2-4,9-10,15-16H,5,12-13H2,1H3,(H,14,17)
InChIKeyWJLAGUIDVUNANS-UHFFFAOYSA-N
XLogP-1.35
TPSA130.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]-3,4-dihydroxybutanoate
CID 171898282
2-(4-amino-1,2-dihydroxybutyl)-5-methoxybenzoic acid
CID 171881871
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzamide
CID 171899846
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzoic acid
CID 171899788
2-(4-chloro-1,2-dihydroxybutyl)-5-methoxybenzamide
CID 171894472
5-methoxy-2-(1,2,4-trihydroxybutyl)benzoic acid
CID 171872914
S-[3-(2-carbamoyl-4-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822606
2-(4-acetamido-1,2-dihydroxybutyl)-5-methoxybenzoic acid
CID 171883663
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
2-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-methoxybenzoic acid
CID 171885455
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide?
The IUPAC name of 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide (CID 170828917) is 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide.
What is the SMILES notation for 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide?
The canonical SMILES for 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide is COc1ccc(C(O)C(O)CN)c(C(=O)NN)c1.
What is the InChIKey of 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide?
The InChIKey is WJLAGUIDVUNANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-18-6-2-3-7(10(16)9(15)5-12)8(4-6)11(17)14-13/h2-4,9-10,15-16H,5,12-13H2,1H3,(H,14,17).
What are the key properties of 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide?
2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide has a molecular weight of 255.27 g/mol, XLogP of -1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide is sourced from PubChem (CID 170828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).