3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid

C15H18N2O4 — CID 82224048

IUPAC3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)CCC(=O)O
InChIInChI=1S/C15H18N2O4/c1-16(10-7-13(18)19)8-4-9-17-14(20)11-5-2-3-6-12(11)15(17)21/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyQTTLXWPVOPNPIV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds7

About 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid

3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid (PubChem CID 82224048) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
PubChem CID82224048
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)CCC(=O)O
InChIInChI=1S/C15H18N2O4/c1-16(10-7-13(18)19)8-4-9-17-14(20)11-5-2-3-6-12(11)15(17)21/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyQTTLXWPVOPNPIV-UHFFFAOYSA-N
XLogP1.08
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
2-[3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propyl-methylamino]propyl]-4H-isoquinoline-1,3-dione;hydrochloride
CID 21428656
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
2-[3-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-methylamino]hexyl-methylamino]propyl]benzo[de]isoquinoline-1,3-dione
CID 16725978
benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid?
The IUPAC name of 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid (CID 82224048) is 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid?
The canonical SMILES for 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid is CN(CCCN1C(=O)c2ccccc2C1=O)CCC(=O)O.
What is the InChIKey of 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid?
The InChIKey is QTTLXWPVOPNPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(10-7-13(18)19)8-4-9-17-14(20)11-5-2-3-6-12(11)15(17)21/h2-3,5-6H,4,7-10H2,1H3,(H,18,19).
What are the key properties of 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid?
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid is sourced from PubChem (CID 82224048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).