2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide

C14H17N3O5 — CID 146273965

IUPAC2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O
InChIInChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19)
InChIKeyKHOVBKYHYKECLX-UHFFFAOYSA-N
MW307.31 g/mol
LogP-1.09
Rot. Bonds5

About 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide

2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide (PubChem CID 146273965) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
PubChem CID146273965
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O
InChIInChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19)
InChIKeyKHOVBKYHYKECLX-UHFFFAOYSA-N
XLogP-1.09
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The IUPAC name of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide (CID 146273965) is 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O.
What is the InChIKey of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The InChIKey is KHOVBKYHYKECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19).
What are the key properties of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide has a molecular weight of 307.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 146273965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).