(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide

C10H19N3O4 — CID 58720884

IUPAC(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide
SMILESCNC(=O)[C@H](CCCCCC(=O)NO)NC=O
InChIInChI=1S/C10H19N3O4/c1-11-10(16)8(12-7-14)5-3-2-4-6-9(15)13-17/h7-8,17H,2-6H2,1H3,(H,11,16)(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyQGTYZIHAZJBPGM-QMMMGPOBSA-N
MW245.28 g/mol
LogP-0.70
Rot. Bonds9

About (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide

(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide (PubChem CID 58720884) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide.

Molecular Properties

Compound Name(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide
PubChem CID58720884
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide
SMILESCNC(=O)[C@H](CCCCCC(=O)NO)NC=O
InChIInChI=1S/C10H19N3O4/c1-11-10(16)8(12-7-14)5-3-2-4-6-9(15)13-17/h7-8,17H,2-6H2,1H3,(H,11,16)(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyQGTYZIHAZJBPGM-QMMMGPOBSA-N
XLogP-0.70
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide?
The IUPAC name of (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide (CID 58720884) is (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide.
What is the SMILES notation for (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide?
The canonical SMILES for (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide is CNC(=O)[C@H](CCCCCC(=O)NO)NC=O.
What is the InChIKey of (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide?
The InChIKey is QGTYZIHAZJBPGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-11-10(16)8(12-7-14)5-3-2-4-6-9(15)13-17/h7-8,17H,2-6H2,1H3,(H,11,16)(H,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide?
(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide has a molecular weight of 245.28 g/mol, XLogP of -0.70, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-N'-hydroxy-N-methyloctanediamide is sourced from PubChem (CID 58720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).