5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C18H22N4O5 — CID 167716592

IUPAC5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC[C@@H](NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H](N)CO
InChIInChI=1S/C18H22N4O5/c1-9(13(19)8-23)20-7-10-2-3-11-12(6-10)18(27)22(17(11)26)14-4-5-15(24)21-16(14)25/h2-3,6,9,13-14,20,23H,4-5,7-8,19H2,1H3,(H,21,24,25)/t9-,13-,14?/m1/s1
InChIKeyPPXSVXAEUWAXJP-RTBKOKTESA-N
MW374.40 g/mol
LogP-1.11
Rot. Bonds6

About 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167716592) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167716592
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC[C@@H](NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H](N)CO
InChIInChI=1S/C18H22N4O5/c1-9(13(19)8-23)20-7-10-2-3-11-12(6-10)18(27)22(17(11)26)14-4-5-15(24)21-16(14)25/h2-3,6,9,13-14,20,23H,4-5,7-8,19H2,1H3,(H,21,24,25)/t9-,13-,14?/m1/s1
InChIKeyPPXSVXAEUWAXJP-RTBKOKTESA-N
XLogP-1.11
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[[(2R)-2-amino-3-methylbutyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728846
5-[[[2-(aminomethyl)-3-hydroxypropyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731493
5-[[(3-aminophenyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738128
5-[[(4-amino-2-methylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737722
5-[[(3-amino-2-hydroxy-2-methylpropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729863
5-[[[(1R,2R)-2-aminocyclobutyl]methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738259
5-[[[4-[(1S)-1-amino-2-methylpropyl]-1,3-thiazol-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728983
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
5-[[[(2S)-1-aminopropan-2-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739552
5-[[(4-amino-4-methylpentyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716317
5-[[(2-amino-3-pyridinyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733333
5-[[[(1R,3R)-3-aminocyclohexyl]methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727809

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167716592) is 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is C[C@@H](NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H](N)CO.
What is the InChIKey of 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is PPXSVXAEUWAXJP-RTBKOKTESA-N. The full InChI is InChI=1S/C18H22N4O5/c1-9(13(19)8-23)20-7-10-2-3-11-12(6-10)18(27)22(17(11)26)14-4-5-15(24)21-16(14)25/h2-3,6,9,13-14,20,23H,4-5,7-8,19H2,1H3,(H,21,24,25)/t9-,13-,14?/m1/s1.
What are the key properties of 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 374.40 g/mol, XLogP of -1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167716592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).