N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide

C12H17N3O4 — CID 107705570

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
SMILESCCCC(NC(=O)c1cc(O)cc(O)c1)/C(N)=N/O
InChIInChI=1S/C12H17N3O4/c1-2-3-10(11(13)15-19)14-12(18)7-4-8(16)6-9(17)5-7/h4-6,10,16-17,19H,2-3H2,1H3,(H2,13,15)(H,14,18)
InChIKeyYPYVMIQLTGNUPK-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.74
Rot. Bonds5

About N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide (PubChem CID 107705570) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
PubChem CID107705570
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
SMILESCCCC(NC(=O)c1cc(O)cc(O)c1)/C(N)=N/O
InChIInChI=1S/C12H17N3O4/c1-2-3-10(11(13)15-19)14-12(18)7-4-8(16)6-9(17)5-7/h4-6,10,16-17,19H,2-3H2,1H3,(H2,13,15)(H,14,18)
InChIKeyYPYVMIQLTGNUPK-UHFFFAOYSA-N
XLogP0.74
TPSA128.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.74
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-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399930
N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
CID 77060505
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76930016
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
N-(1-amino-1-hydroxyiminopentan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261150
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide (CID 107705570) is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide is CCCC(NC(=O)c1cc(O)cc(O)c1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide?
The InChIKey is YPYVMIQLTGNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-10(11(13)15-19)14-12(18)7-4-8(16)6-9(17)5-7/h4-6,10,16-17,19H,2-3H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide has a molecular weight of 267.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107705570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).