CID 89330987

C10H14BN2O5 — CID 89330987

IUPAC—
SMILESC[B]CC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14BN2O5/c1-11-6-7(14)12-5-4-10(17)18-13-8(15)2-3-9(13)16/h2-6H2,1H3,(H,12,14)
InChIKeyYYVPSFMPYZHPNL-UHFFFAOYSA-N
MW253.04 g/mol
LogP-0.73
Rot. Bonds6

About CID 89330987

CID 89330987 (PubChem CID 89330987) has the molecular formula C10H14BN2O5 and a molecular weight of 253.04 g/mol.

Molecular Properties

Compound NameCID 89330987
PubChem CID89330987
Molecular FormulaC10H14BN2O5
Molecular Weight253.04 g/mol
Exact Mass253.10
IUPAC Name—
SMILESC[B]CC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14BN2O5/c1-11-6-7(14)12-5-4-10(17)18-13-8(15)2-3-9(13)16/h2-6H2,1H3,(H,12,14)
InChIKeyYYVPSFMPYZHPNL-UHFFFAOYSA-N
XLogP-0.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 5-0.73
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) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 134424013
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 90179191
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino](113C)propanoate
CID 160797530

Frequently Asked Questions

What is the IUPAC name of CID 89330987?
The IUPAC name of CID 89330987 (CID 89330987) is not available.
What is the SMILES notation for CID 89330987?
The canonical SMILES for CID 89330987 is C[B]CC(=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of CID 89330987?
The InChIKey is YYVPSFMPYZHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN2O5/c1-11-6-7(14)12-5-4-10(17)18-13-8(15)2-3-9(13)16/h2-6H2,1H3,(H,12,14).
What are the key properties of CID 89330987?
CID 89330987 has a molecular weight of 253.04 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89330987 is sourced from PubChem (CID 89330987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).