4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide

C11H15N3O3 — CID 178171731

IUPAC4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
SMILESNc1ccc(C(=O)NO)cc1NC[C@@H]1CCO1
InChIInChI=1S/C11H15N3O3/c12-9-2-1-7(11(15)14-16)5-10(9)13-6-8-3-4-17-8/h1-2,5,8,13,16H,3-4,6,12H2,(H,14,15)/t8-/m0/s1
InChIKeyNGSYICWLWUYAKD-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide

4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide (PubChem CID 178171731) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
PubChem CID178171731
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
SMILESNc1ccc(C(=O)NO)cc1NC[C@@H]1CCO1
InChIInChI=1S/C11H15N3O3/c12-9-2-1-7(11(15)14-16)5-10(9)13-6-8-3-4-17-8/h1-2,5,8,13,16H,3-4,6,12H2,(H,14,15)/t8-/m0/s1
InChIKeyNGSYICWLWUYAKD-QMMMGPOBSA-N
XLogP0.59
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylbenzamide
CID 63360796
[4-amino-3-(oxetan-2-ylmethylamino)phenyl] N-sulfonylcarbamate
CID 175525593
2-N-[[(2S)-oxetan-2-yl]methyl]benzene-1,2-diamine
CID 175517445
4-iodo-3-[[(2S)-oxetan-2-yl]methylamino]benzoic acid
CID 175517386
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
2-N-[[(2S)-oxetan-2-yl]methyl]-4-[(E)-prop-1-enyl]benzene-1,2-diamine
CID 170938453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide?
The IUPAC name of 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide (CID 178171731) is 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide.
What is the SMILES notation for 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide?
The canonical SMILES for 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide is Nc1ccc(C(=O)NO)cc1NC[C@@H]1CCO1.
What is the InChIKey of 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide?
The InChIKey is NGSYICWLWUYAKD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-9-2-1-7(11(15)14-16)5-10(9)13-6-8-3-4-17-8/h1-2,5,8,13,16H,3-4,6,12H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide?
4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide has a molecular weight of 237.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide is sourced from PubChem (CID 178171731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).