2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione

C16H23N3O4 — CID 177365985

IUPAC2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
SMILESCC(C)Nc1cccc(C=O)c1O.CNC1CCC(=O)NC1=O
InChIInChI=1S/C10H13NO2.C6H10N2O2/c1-7(2)11-9-5-3-4-8(6-12)10(9)13;1-7-4-2-3-5(9)8-6(4)10/h3-7,11,13H,1-2H3;4,7H,2-3H2,1H3,(H,8,9,10)
InChIKeyHAGMRPKXVNIQGX-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.04
Rot. Bonds4

About 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione

2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione (PubChem CID 177365985) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
PubChem CID177365985
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
SMILESCC(C)Nc1cccc(C=O)c1O.CNC1CCC(=O)NC1=O
InChIInChI=1S/C10H13NO2.C6H10N2O2/c1-7(2)11-9-5-3-4-8(6-12)10(9)13;1-7-4-2-3-5(9)8-6(4)10/h3-7,11,13H,1-2H3;4,7H,2-3H2,1H3,(H,8,9,10)
InChIKeyHAGMRPKXVNIQGX-UHFFFAOYSA-N
XLogP1.04
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione
CID 143421285
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
2-[1-[(2,6-dioxopiperidin-3-yl)amino]propa-1,2-dienyl]benzaldehyde;ethane;molecular hydrogen
CID 176531257
N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
CID 167048898
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 131999638
N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one
CID 156745130
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
CID 153393794
3-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]piperidine-2,6-dione
CID 146573480

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione?
The IUPAC name of 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione (CID 177365985) is 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione.
What is the SMILES notation for 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione?
The canonical SMILES for 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione is CC(C)Nc1cccc(C=O)c1O.CNC1CCC(=O)NC1=O.
What is the InChIKey of 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione?
The InChIKey is HAGMRPKXVNIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C6H10N2O2/c1-7(2)11-9-5-3-4-8(6-12)10(9)13;1-7-4-2-3-5(9)8-6(4)10/h3-7,11,13H,1-2H3;4,7H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione?
2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione has a molecular weight of 321.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione is sourced from PubChem (CID 177365985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).