N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide

C11H15N3O4 — CID 107725624

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
SMILESCC(C/C(N)=N/O)NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H15N3O4/c1-6(4-10(12)14-18)13-11(17)8-3-2-7(15)5-9(8)16/h2-3,5-6,15-16,18H,4H2,1H3,(H2,12,14)(H,13,17)
InChIKeyRSBPVSWIGGUWHU-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.35
Rot. Bonds4

About N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide (PubChem CID 107725624) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
PubChem CID107725624
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
SMILESCC(C/C(N)=N/O)NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H15N3O4/c1-6(4-10(12)14-18)13-11(17)8-3-2-7(15)5-9(8)16/h2-3,5-6,15-16,18H,4H2,1H3,(H2,12,14)(H,13,17)
InChIKeyRSBPVSWIGGUWHU-UHFFFAOYSA-N
XLogP0.35
TPSA128.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76934546
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
CID 76934608
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,5-dimethoxybenzamide
CID 76934750
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,6-trifluorobenzamide
CID 77056022
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide
CID 76934841
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid
CID 30117592

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide (CID 107725624) is N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide is CC(C/C(N)=N/O)NC(=O)c1ccc(O)cc1O.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide?
The InChIKey is RSBPVSWIGGUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(4-10(12)14-18)13-11(17)8-3-2-7(15)5-9(8)16/h2-3,5-6,15-16,18H,4H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide?
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide has a molecular weight of 253.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 107725624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).