CID 20745570

C11H19BN2O5 — CID 20745570

IUPAC—
SMILES[B]C(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC
InChIInChI=1S/C11H19BN2O5/c1-11(2,3)19-8(15)6-7(13-10(12)17)9(16)14(4)18-5/h7H,6H2,1-5H3,(H,13,17)
InChIKeyWXGLVGVIYAYXQA-UHFFFAOYSA-N
MW270.09 g/mol
LogP-0.02
Rot. Bonds5

About CID 20745570

CID 20745570 (PubChem CID 20745570) has the molecular formula C11H19BN2O5 and a molecular weight of 270.09 g/mol.

Molecular Properties

Compound NameCID 20745570
PubChem CID20745570
Molecular FormulaC11H19BN2O5
Molecular Weight270.09 g/mol
Exact Mass270.14
IUPAC Name—
SMILES[B]C(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC
InChIInChI=1S/C11H19BN2O5/c1-11(2,3)19-8(15)6-7(13-10(12)17)9(16)14(4)18-5/h7H,6H2,1-5H3,(H,13,17)
InChIKeyWXGLVGVIYAYXQA-UHFFFAOYSA-N
XLogP-0.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156
tert-butyl (3S)-4-[methoxy(methyl)amino]-4-oxo-3-[(2-phenoxyphenyl)sulfonylamino]butanoate
CID 102301370
tert-butyl N-[6-amino-1-[methoxy(methyl)amino]-1-oxohexan-2-yl]carbamate
CID 85093744
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobut-3-yn-2-yl]carbamate
CID 126732205
CID 170586865
CID 170586865
tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 123433005
(2S)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 134129434
tert-butyl (2R)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 57382108
(2S)-2-(dimethylsulfamoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841691
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopentan-3-yl]carbamate
CID 118024739

Frequently Asked Questions

What is the IUPAC name of CID 20745570?
The IUPAC name of CID 20745570 (CID 20745570) is not available.
What is the SMILES notation for CID 20745570?
The canonical SMILES for CID 20745570 is [B]C(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC.
What is the InChIKey of CID 20745570?
The InChIKey is WXGLVGVIYAYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2O5/c1-11(2,3)19-8(15)6-7(13-10(12)17)9(16)14(4)18-5/h7H,6H2,1-5H3,(H,13,17).
What are the key properties of CID 20745570?
CID 20745570 has a molecular weight of 270.09 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20745570 is sourced from PubChem (CID 20745570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).