potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate

C11H9KN2O4 — CID 74083305

IUPACpotassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESNC(CN1C(=O)c2ccccc2C1=O)C(=O)[O-].[K+]
InChIInChI=1S/C11H10N2O4.K/c12-8(11(16)17)5-13-9(14)6-3-1-2-4-7(6)10(13)15;/h1-4,8H,5,12H2,(H,16,17);/q;+1/p-1
InChIKeyROCYUFXVWLNJGT-UHFFFAOYSA-M
MW272.30 g/mol
LogP-4.64
Rot. Bonds3

About potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate

potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 74083305) has the molecular formula C11H9KN2O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namepotassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID74083305
Molecular FormulaC11H9KN2O4
Molecular Weight272.30 g/mol
Exact Mass272.02
IUPAC Namepotassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESNC(CN1C(=O)c2ccccc2C1=O)C(=O)[O-].[K+]
InChIInChI=1S/C11H10N2O4.K/c12-8(11(16)17)5-13-9(14)6-3-1-2-4-7(6)10(13)15;/h1-4,8H,5,12H2,(H,16,17);/q;+1/p-1
InChIKeyROCYUFXVWLNJGT-UHFFFAOYSA-M
XLogP-4.64
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-4.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride
CID 127255651
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-amino-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
CID 65443210
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
CID 10592421
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
methyl 3-(1,3-dioxoisoindol-2-yl)-2-(4-iodophenyl)propanoate
CID 167019726
2-[(2S,3S)-2-hydroxy-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 139039322
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 43461566
[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl] acetate
CID 14714940
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate (CID 74083305) is potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate is NC(CN1C(=O)c2ccccc2C1=O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is ROCYUFXVWLNJGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O4.K/c12-8(11(16)17)5-13-9(14)6-3-1-2-4-7(6)10(13)15;/h1-4,8H,5,12H2,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate?
potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of -4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 74083305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).