2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid

C19H24N4O7 — CID 69248780

IUPAC2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid
SMILESCNCC(=O)O.CNc1cccc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O
InChIInChI=1S/C16H17N3O5.C3H7NO2/c1-17-10-4-2-3-9-13(10)16(24)19(14(9)22)11-5-6-12(21)18(7-8-20)15(11)23;1-4-2-3(5)6/h2-4,11,17,20H,5-8H2,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyJAQZGLXWGHDULF-UHFFFAOYSA-N
MW420.42 g/mol
LogP-0.88
Rot. Bonds6

About 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid

2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid (PubChem CID 69248780) has the molecular formula C19H24N4O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid
PubChem CID69248780
Molecular FormulaC19H24N4O7
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Name2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid
SMILESCNCC(=O)O.CNc1cccc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O
InChIInChI=1S/C16H17N3O5.C3H7NO2/c1-17-10-4-2-3-9-13(10)16(24)19(14(9)22)11-5-6-12(21)18(7-8-20)15(11)23;1-4-2-3(5)6/h2-4,11,17,20H,5-8H2,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyJAQZGLXWGHDULF-UHFFFAOYSA-N
XLogP-0.88
TPSA156.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid with MolForge

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Related Compounds

4-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-2-aminopropanoic acid
CID 160907229
(2S)-2-(diethylamino)propanoic acid;4-fluoro-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 159539869
2-[3-(4-fluoro-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl (2S)-2-(methylamino)propanoate
CID 71126340
3-[[[2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]amino]methyl]-4-phenylbenzoic acid
CID 176691657
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl propanoate
CID 129190490
3-[2-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146161296
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
CID 59765248
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl 2-aminoacetate
CID 69249409
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl 2-(dimethylamino)acetate
CID 69247962
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl (2S)-2-amino-3-methylbutanoate
CID 89295602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid (CID 69248780) is 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid is CNCC(=O)O.CNc1cccc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid?
The InChIKey is JAQZGLXWGHDULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5.C3H7NO2/c1-17-10-4-2-3-9-13(10)16(24)19(14(9)22)11-5-6-12(21)18(7-8-20)15(11)23;1-4-2-3(5)6/h2-4,11,17,20H,5-8H2,1H3;4H,2H2,1H3,(H,5,6).
What are the key properties of 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid?
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid has a molecular weight of 420.42 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid is sourced from PubChem (CID 69248780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).