CID 20768516

C7H7BN2O5 — CID 20768516

IUPAC—
SMILES[B]C(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H7BN2O5/c8-7(14)9-3-6(13)15-10-4(11)1-2-5(10)12/h1-3H2,(H,9,14)
InChIKeyJFJQOAKXGDUMCC-UHFFFAOYSA-N
MW209.95 g/mol
LogP-1.53
Rot. Bonds3

About CID 20768516

CID 20768516 (PubChem CID 20768516) has the molecular formula C7H7BN2O5 and a molecular weight of 209.95 g/mol.

Molecular Properties

Compound NameCID 20768516
PubChem CID20768516
Molecular FormulaC7H7BN2O5
Molecular Weight209.95 g/mol
Exact Mass210.04
IUPAC Name—
SMILES[B]C(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H7BN2O5/c8-7(14)9-3-6(13)15-10-4(11)1-2-5(10)12/h1-3H2,(H,9,14)
InChIKeyJFJQOAKXGDUMCC-UHFFFAOYSA-N
XLogP-1.53
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.95
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 170201566
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427

Frequently Asked Questions

What is the IUPAC name of CID 20768516?
The IUPAC name of CID 20768516 (CID 20768516) is not available.
What is the SMILES notation for CID 20768516?
The canonical SMILES for CID 20768516 is [B]C(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of CID 20768516?
The InChIKey is JFJQOAKXGDUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O5/c8-7(14)9-3-6(13)15-10-4(11)1-2-5(10)12/h1-3H2,(H,9,14).
What are the key properties of CID 20768516?
CID 20768516 has a molecular weight of 209.95 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20768516 is sourced from PubChem (CID 20768516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).