2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one

C10H15N3O5 — CID 23615580

IUPAC2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one
SMILESNNCc1cc(C(=O)C(N)CO)c(O)c(O)c1O
InChIInChI=1S/C10H15N3O5/c11-6(3-14)8(16)5-1-4(2-13-12)7(15)10(18)9(5)17/h1,6,13-15,17-18H,2-3,11-12H2
InChIKeyPSQLWHRWOVEBNO-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.73
Rot. Bonds5

About 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one

2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one (PubChem CID 23615580) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one
PubChem CID23615580
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one
SMILESNNCc1cc(C(=O)C(N)CO)c(O)c(O)c1O
InChIInChI=1S/C10H15N3O5/c11-6(3-14)8(16)5-1-4(2-13-12)7(15)10(18)9(5)17/h1,6,13-15,17-18H,2-3,11-12H2
InChIKeyPSQLWHRWOVEBNO-UHFFFAOYSA-N
XLogP-1.73
TPSA162.06 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(azanyl(15N)amino)methyl]benzene-1,2,3-triol;oxalic acid
CID 175673177
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 173056322
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
CID 116920619
2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 116920632
(2R)-2-amino-1-(2,3-dihydroxy-5-methylphenyl)-3-sulfanylpropan-1-one
CID 91588676
(3,4,5-trihydroxyphenyl)-(2,3,4-trihydroxy-5-propylphenyl)methanone
CID 19910474
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 157145146
2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376
1-[(5-fluoro-2,3,4-trihydroxyphenyl)methylamino]-4-hydroxy-3-methylbutan-2-one
CID 158415573
5-fluoro-2-(hydrazinylmethyl)phenol;hydrochloride
CID 154729993
(2R)-2-amino-3-hydroxypropanoate
CID 5460788

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one (CID 23615580) is 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one is NNCc1cc(C(=O)C(N)CO)c(O)c(O)c1O.
What is the InChIKey of 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one?
The InChIKey is PSQLWHRWOVEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-6(3-14)8(16)5-1-4(2-13-12)7(15)10(18)9(5)17/h1,6,13-15,17-18H,2-3,11-12H2.
What are the key properties of 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one?
2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one has a molecular weight of 257.25 g/mol, XLogP of -1.73, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(hydrazinylmethyl)-2,3,4-trihydroxyphenyl]-3-hydroxypropan-1-one is sourced from PubChem (CID 23615580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).