2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid

C22H18N4O7 — CID 23238026

IUPAC2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N4O7/c27-17(23-9-18(28)29)10-24(11-25-19(30)13-5-1-2-6-14(13)20(25)31)12-26-21(32)15-7-3-4-8-16(15)22(26)33/h1-8H,9-12H2,(H,23,27)(H,28,29)
InChIKeySRRQYHJPKZMMJA-UHFFFAOYSA-N
MW450.41 g/mol
LogP-0.00
Rot. Bonds8

About 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid

2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid (PubChem CID 23238026) has the molecular formula C22H18N4O7 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid
PubChem CID23238026
Molecular FormulaC22H18N4O7
Molecular Weight450.41 g/mol
Exact Mass450.12
IUPAC Name2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N4O7/c27-17(23-9-18(28)29)10-24(11-25-19(30)13-5-1-2-6-14(13)20(25)31)12-26-21(32)15-7-3-4-8-16(15)22(26)33/h1-8H,9-12H2,(H,23,27)(H,28,29)
InChIKeySRRQYHJPKZMMJA-UHFFFAOYSA-N
XLogP-0.00
TPSA144.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid (CID 23238026) is 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CN(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid?
The InChIKey is SRRQYHJPKZMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O7/c27-17(23-9-18(28)29)10-24(11-25-19(30)13-5-1-2-6-14(13)20(25)31)12-26-21(32)15-7-3-4-8-16(15)22(26)33/h1-8H,9-12H2,(H,23,27)(H,28,29).
What are the key properties of 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid?
2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid has a molecular weight of 450.41 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis[(1,3-dioxoisoindol-2-yl)methyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 23238026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).